BDBM50014106 CHEMBL429882::N-[[[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-carbonyl]-Pro-Phe-N(Me) His-Leu[CHOHCH2]Val-Ile-AMP

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)NC(CO)(CO)CO)C(C)C)C(=O)NCc1ccccn1

InChI Key: InChIKey=ZAWLRCAPIHLGNI-BPVPQGFMSA-N

Data: 1 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 1 hit for monomerid = 50014106   

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)	BDBM50014106 (CHEMBL429882 | N-[[[2-Hydroxy-1,1-bis(hydroxymethy...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)NC(CO)(CO)CO)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C50H76N10O10/c1-8-33(6)43(47(68)53-26-35-17-12-13-19-52-35)57-44(65)37(32(4)5)24-42(64)38(21-31(2)3)55-46(67)41(23-36-25-51-30-54-36)59(7)48(69)39(22-34-15-10-9-11-16-34)56-45(66)40-18-14-20-60(40)49(70)58-50(27-61,28-62)29-63/h9-13,15-17,19,25,30-33,37-43,61-64H,8,14,18,20-24,26-29H2,1-7H3,(H,51,54)(H,53,68)(H,55,67)(H,56,66)(H,57,65)(H,58,70)/t33-,37+,38-,39-,40-,41-,42-,43-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Company Curated by ChEMBL					Assay Description Tested invitro for inhibitory activity against plasma renin in rat models				J Med Chem 33: 2276-83 (1990) BindingDB Entry DOI: 10.7270/Q28C9V7S
					More data for this Ligand-Target Pair