Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 639.7 BDBM50014049

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Renin (Homo sapiens (Human))	BDBM50014049 (CHEMBL287953 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...) Show SMILES C[C@H]1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C34H49N5O7/c1-21-15-28(45-32(21)43)29(40)25(16-22-11-7-5-8-12-22)37-31(42)27(18-24-19-35-20-36-24)38-30(41)26(17-23-13-9-6-10-14-23)39-33(44)46-34(2,3)4/h6,9-10,13-14,19-22,25-29,40H,5,7-8,11-12,15-18H2,1-4H3,(H,35,36)(H,37,42)(H,38,41)(H,39,44)/t21-,25-,26-,27-,28-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of human plasma renin.				J Med Chem 33: 1582-90 (1990) BindingDB Entry DOI: 10.7270/Q2NK3D0G
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50014049 (CHEMBL287953 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...) Show SMILES C[C@H]1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C34H49N5O7/c1-21-15-28(45-32(21)43)29(40)25(16-22-11-7-5-8-12-22)37-31(42)27(18-24-19-35-20-36-24)38-30(41)26(17-23-13-9-6-10-14-23)39-33(44)46-34(2,3)4/h6,9-10,13-14,19-22,25-29,40H,5,7-8,11-12,15-18H2,1-4H3,(H,35,36)(H,37,42)(H,38,41)(H,39,44)/t21-,25-,26-,27-,28-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of human plasma renin.				J Med Chem 33: 1582-90 (1990) BindingDB Entry DOI: 10.7270/Q2NK3D0G
					More data for this Ligand-Target Pair