BDBM50024178 4-(2-{4-[2-(3-Adamantan-1-yl-2-tert-butoxycarbonylamino-propionylamino)-3-(1H-imidazol-4-yl)-propionylamino]-3-hydroxy-6-methyl-heptanoylamino}-propionylamino)-3-hydroxy-6-methyl-heptanoic acid methyl ester::CHEMBL16170::CHEMBL3142806

SMILES: COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)OC(C)(C)C

InChI Key: InChIKey=DLVFMDJVJLFXDL-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50024178   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Renin (Homo sapiens (Human))	BDBM50024178 (4-(2-{4-[2-(3-Adamantan-1-yl-2-tert-butoxycarbonyl...) Show SMILES COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)OC(C)(C)C |r,TLB:46:47:51:45.44.50,THB:46:45:51:47.52.48,48:47:44:49.51.50,48:49:44:47.52.46| Show InChI InChI=1S/C44H73N7O10/c1-24(2)10-31(35(52)16-37(54)47-26(5)39(56)48-32(11-25(3)4)36(53)17-38(55)60-9)49-40(57)33(15-30-22-45-23-46-30)50-41(58)34(51-42(59)61-43(6,7)8)21-44-18-27-12-28(19-44)14-29(13-27)20-44/h22-29,31-36,52-53H,10-21H2,1-9H3,(H,45,46)(H,47,54)(H,48,56)(H,49,57)(H,50,58)(H,51,59)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against dog plasma renin				J Med Chem 29: 1152-9 (1987) BindingDB Entry DOI: 10.7270/Q2VH5PD3
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50024178 (4-(2-{4-[2-(3-Adamantan-1-yl-2-tert-butoxycarbonyl...) Show SMILES COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)OC(C)(C)C |r,TLB:46:47:51:45.44.50,THB:46:45:51:47.52.48,48:47:44:49.51.50,48:49:44:47.52.46| Show InChI InChI=1S/C44H73N7O10/c1-24(2)10-31(35(52)16-37(54)47-26(5)39(56)48-32(11-25(3)4)36(53)17-38(55)60-9)49-40(57)33(15-30-22-45-23-46-30)50-41(58)34(51-42(59)61-43(6,7)8)21-44-18-27-12-28(19-44)14-29(13-27)20-44/h22-29,31-36,52-53H,10-21H2,1-9H3,(H,45,46)(H,47,54)(H,48,56)(H,49,57)(H,50,58)(H,51,59)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of monkey plasma renin activity				J Med Chem 29: 1152-9 (1987) BindingDB Entry DOI: 10.7270/Q2VH5PD3
					More data for this Ligand-Target Pair
Renin (Rattus norvegicus)	BDBM50024178 (4-(2-{4-[2-(3-Adamantan-1-yl-2-tert-butoxycarbonyl...) Show SMILES COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)OC(C)(C)C |r,TLB:46:47:51:45.44.50,THB:46:45:51:47.52.48,48:47:44:49.51.50,48:49:44:47.52.46| Show InChI InChI=1S/C44H73N7O10/c1-24(2)10-31(35(52)16-37(54)47-26(5)39(56)48-32(11-25(3)4)36(53)17-38(55)60-9)49-40(57)33(15-30-22-45-23-46-30)50-41(58)34(51-42(59)61-43(6,7)8)21-44-18-27-12-28(19-44)14-29(13-27)20-44/h22-29,31-36,52-53H,10-21H2,1-9H3,(H,45,46)(H,47,54)(H,48,56)(H,49,57)(H,50,58)(H,51,59)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against hog plasma renin				J Med Chem 29: 1152-9 (1987) BindingDB Entry DOI: 10.7270/Q2VH5PD3
					More data for this Ligand-Target Pair
Renin (Rattus norvegicus)	BDBM50024178 (4-(2-{4-[2-(3-Adamantan-1-yl-2-tert-butoxycarbonyl...) Show SMILES COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)OC(C)(C)C |r,TLB:46:47:51:45.44.50,THB:46:45:51:47.52.48,48:47:44:49.51.50,48:49:44:47.52.46| Show InChI InChI=1S/C44H73N7O10/c1-24(2)10-31(35(52)16-37(54)47-26(5)39(56)48-32(11-25(3)4)36(53)17-38(55)60-9)49-40(57)33(15-30-22-45-23-46-30)50-41(58)34(51-42(59)61-43(6,7)8)21-44-18-27-12-28(19-44)14-29(13-27)20-44/h22-29,31-36,52-53H,10-21H2,1-9H3,(H,45,46)(H,47,54)(H,48,56)(H,49,57)(H,50,58)(H,51,59)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against monkey plasma renin				J Med Chem 29: 1152-9 (1987) BindingDB Entry DOI: 10.7270/Q2VH5PD3
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50024178 (4-(2-{4-[2-(3-Adamantan-1-yl-2-tert-butoxycarbonyl...) Show SMILES COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)OC(C)(C)C |r,TLB:46:47:51:45.44.50,THB:46:45:51:47.52.48,48:47:44:49.51.50,48:49:44:47.52.46| Show InChI InChI=1S/C44H73N7O10/c1-24(2)10-31(35(52)16-37(54)47-26(5)39(56)48-32(11-25(3)4)36(53)17-38(55)60-9)49-40(57)33(15-30-22-45-23-46-30)50-41(58)34(51-42(59)61-43(6,7)8)21-44-18-27-12-28(19-44)14-29(13-27)20-44/h22-29,31-36,52-53H,10-21H2,1-9H3,(H,45,46)(H,47,54)(H,48,56)(H,49,57)(H,50,58)(H,51,59)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against dog plasma renin				J Med Chem 29: 1152-9 (1987) BindingDB Entry DOI: 10.7270/Q2VH5PD3
					More data for this Ligand-Target Pair