BDBM50022002 1-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl]-pyrrolidine-2-carboxylic acid {1-[1-(1-{2-[1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-1-hydroxy-ethyl}-3-methyl-butylcarbamoyl)-2-methyl-propylcarbamoyl]-2-phenyl-ethyl}-amide::CHEMBL385618

SMILES: CC(C)C[C@H](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@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=MMZOSDMFRSWCAY-KMVXVDKCSA-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 = 50022002   

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)	BDBM50022002 (1-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl]-p...) Show SMILES CC(C)C[C@H](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@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C50H72N10O9/c1-29(2)21-36(42(62)26-43(63)55-38(22-30(3)4)46(65)57-37(45(51)64)23-33-15-10-8-11-16-33)56-49(68)44(31(5)6)59-47(66)39(24-34-17-12-9-13-18-34)58-48(67)41-19-14-20-60(41)50(69)40(54-32(7)61)25-35-27-52-28-53-35/h8-13,15-18,27-31,36-42,44,62H,14,19-26H2,1-7H3,(H2,51,64)(H,52,53)(H,54,61)(H,55,63)(H,56,68)(H,57,65)(H,58,67)(H,59,66)/t36-,37-,38-,39-,40-,41+,42-,44-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	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))	BDBM50022002 (1-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl]-p...) Show SMILES CC(C)C[C@H](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@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C50H72N10O9/c1-29(2)21-36(42(62)26-43(63)55-38(22-30(3)4)46(65)57-37(45(51)64)23-33-15-10-8-11-16-33)56-49(68)44(31(5)6)59-47(66)39(24-34-17-12-9-13-18-34)58-48(67)41-19-14-20-60(41)50(69)40(54-32(7)61)25-35-27-52-28-53-35/h8-13,15-18,27-31,36-42,44,62H,14,19-26H2,1-7H3,(H2,51,64)(H,52,53)(H,54,61)(H,55,63)(H,56,68)(H,57,65)(H,58,67)(H,59,66)/t36-,37-,38-,39-,40-,41+,42-,44-/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	3.20	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