3D structures mapped by conservation among orthologs

[ Domain: "Somatomedin B domain" // Somatomedin_B ]

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 IC50 CSV    Ki CSV

Only the first 20 rows are shown.

molecule_chembl_id	structure	assay_type	relation	value	unit	mol_wt	smiles	organism	assay_chembl_id	bao_label
CHEMBL5282123		IC50	=	3.7	nM	405.91	CN1Cc2c(ncnc2N2CCC(C)(CNS(N)(=O)=O)CC2)NC1=O.Cl	Homo sapiens	CHEMBL5237746	single protein format
CHEMBL5411127		IC50	=	11.0	nM	343.41	COc1ccc2c(-c3ccc(CNS(N)(=O)=O)cc3)ccnc2c1	Homo sapiens	CHEMBL5375461	single protein format
CHEMBL5278177		IC50	=	32.3	nM	401.85	CN1Cc2c(-c3ccc(CNS(N)(=O)=O)c(F)c3)ccnc2NC1=O.Cl	Homo sapiens	CHEMBL5237746	single protein format
CHEMBL5433453		IC50	=	37.0	nM	390.42	COc1cc2c(-c3ccc(CNS(N)(=O)=O)cc3)n[nH]c(=O)c2cc1OC	Homo sapiens	CHEMBL5375461	single protein format
CHEMBL5438954		IC50	=	39.0	nM	330.37	NS(=O)(=O)Nc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1	Homo sapiens	CHEMBL5375461	single protein format
CHEMBL5287511		IC50	=	45.0	nM	399.86	CN1Cc2c(NCc3ccc(NS(N)(=O)=O)cc3)ncnc2NC1=O.Cl	Homo sapiens	CHEMBL5237746	single protein format
CHEMBL5282991		IC50	=	48.0	nM	391.89	CN1Cc2c(ncnc2N2CCC(CNS(N)(=O)=O)CC2)NC1=O.Cl	Homo sapiens	CHEMBL5237746	single protein format
CHEMBL5413273		IC50	=	68.0	nM	344.4	Cn1nc(Cc2ccc(NS(N)(=O)=O)cc2)c2ccccc2c1=O	Homo sapiens	CHEMBL5375461	single protein format
CHEMBL5426250		IC50	=	69.0	nM	390.42	COc1cc2c(Cc3ccc(NS(N)(=O)=O)cc3)n[nH]c(=O)c2cc1OC	Homo sapiens	CHEMBL5375461	single protein format
CHEMBL5418681		IC50	=	118.0	nM	404.45	COc1cc2c(Cc3ccc(NS(N)(=O)=O)cc3)nn(C)c(=O)c2cc1OC	Homo sapiens	CHEMBL5375461	single protein format
CHEMBL5440717		IC50	=	139.0	nM	330.37	NS(=O)(=O)NCc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1	Homo sapiens	CHEMBL5375461	single protein format
CHEMBL4747297		IC50	=	150.0	nM	391.47	CCOc1ccccc1-c1nc(-c2ccc(-c3cccc4ccccc34)cc2)co1	Homo sapiens	CHEMBL4710183	cell membrane format
CHEMBL5279977		IC50	=	164.0	nM	417.92	CN1Cc2c(ncnc2N2CCC3(CC2)CCN(S(N)(=O)=O)C3)NC1=O.Cl	Homo sapiens	CHEMBL5237746	single protein format
CHEMBL5437224		IC50	=	166.0	nM	404.45	COc1cc2c(Cc3ccc(N(C)S(N)(=O)=O)cc3)n[nH]c(=O)c2cc1OC	Homo sapiens	CHEMBL5375461	single protein format
CHEMBL5280052		IC50	=	171.0	nM	384.85	CN1Cc2c(ncnc2-c2cccc(CNS(N)(=O)=O)c2)NC1=O.Cl	Homo sapiens	CHEMBL5237746	single protein format
CHEMBL4878720		IC50	=	180.0	nM	531.04	COc1ccc(-c2nn(-c3cccc(NS(=O)(=O)c4ccc(C)cc4)c3)cc2-c2ccncc2)cc1Cl	Homo sapiens	CHEMBL4817260	cell-based format
CHEMBL4169839		IC50	=	180.0	nM	425.45	FC(F)(F)c1nc2c(-c3ccccc3)cccc2c(-c2ccccc2)c1-c1ccccc1	Homo sapiens	CHEMBL4131382	assay format
CHEMBL5409520		IC50	=	207.0	nM	430.49	COc1cc2c(Cc3ccc4c(c3)CCN4S(N)(=O)=O)nn(C)c(=O)c2cc1OC	Homo sapiens	CHEMBL5375461	single protein format
CHEMBL5410089		IC50	=	210.0	nM	416.46	COc1cc2c(Cc3ccc4c(c3)CCN4S(N)(=O)=O)n[nH]c(=O)c2cc1OC	Homo sapiens	CHEMBL5375461	single protein format
CHEMBL5287838		IC50	=	236.0	nM	391.89	CN1Cc2c(ncnc2N2CCC(C)(NS(N)(=O)=O)CC2)NC1=O.Cl	Homo sapiens	CHEMBL5237746	single protein format