3D structures mapped by conservation among orthologs

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 IC50 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
CHEMBL1078003		IC50	=	116.0	nM	401.59	CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(C)(C)C(=O)O5)[C@@H]3CC[C@@H]12	Homo sapiens	CHEMBL1106730	cell-based format
CHEMBL1080041		IC50	=	189.0	nM	416.69	CCCCCCCN(C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C	Homo sapiens	CHEMBL1106730	cell-based format
CHEMBL1079512		IC50	=	195.0	nM	472.76	CCCCCCCCCCN(C=O)C1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C	Homo sapiens	CHEMBL1106730	cell-based format