BDBM50022007 1-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl]-pyrrolidine-2-carboxylic acid [1-(1-{3-[1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-1-cyclohexylmethyl-2-hydroxy-propylcarbamoyl}-2-methyl-propylcarbamoyl)-2-phenyl-ethyl]-amide::CHEMBL413085

SMILES: CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=BVXFMIRBKJJPOW-QSQFVUOQSA-N

Data: 2 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 2 hits for monomerid = 50022007   

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 (Rattus norvegicus)	BDBM50022007 (1-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl]-p...) Show SMILES CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C53H76N10O9/c1-32(2)24-41(49(68)60-40(48(54)67)26-36-18-11-7-12-19-36)58-46(66)29-45(65)39(25-35-16-9-6-10-17-35)59-52(71)47(33(3)4)62-50(69)42(27-37-20-13-8-14-21-37)61-51(70)44-22-15-23-63(44)53(72)43(57-34(5)64)28-38-30-55-31-56-38/h7-8,11-14,18-21,30-33,35,39-45,47,65H,6,9-10,15-17,22-29H2,1-5H3,(H2,54,67)(H,55,56)(H,57,64)(H,58,66)(H,59,71)(H,60,68)(H,61,70)(H,62,69)/t39-,40-,41-,42-,43-,44+,45-,47-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibitory activity against rat plasma renin in vitro.				J Med Chem 31: 1679-86 (1988) BindingDB Entry DOI: 10.7270/Q2NC61TR
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50022007 (1-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl]-p...) Show SMILES CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C53H76N10O9/c1-32(2)24-41(49(68)60-40(48(54)67)26-36-18-11-7-12-19-36)58-46(66)29-45(65)39(25-35-16-9-6-10-17-35)59-52(71)47(33(3)4)62-50(69)42(27-37-20-13-8-14-21-37)61-51(70)44-22-15-23-63(44)53(72)43(57-34(5)64)28-38-30-55-31-56-38/h7-8,11-14,18-21,30-33,35,39-45,47,65H,6,9-10,15-17,22-29H2,1-5H3,(H2,54,67)(H,55,56)(H,57,64)(H,58,66)(H,59,71)(H,60,68)(H,61,70)(H,62,69)/t39-,40-,41-,42-,43-,44+,45-,47-/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	15	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against human plasma renin				J Med Chem 31: 1679-86 (1988) BindingDB Entry DOI: 10.7270/Q2NC61TR
					More data for this Ligand-Target Pair