BDBM50291951 (R)-2-(2-Amino-thiazol-4-ylmethyl)-N*1*-((1S,2R,3S)-1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexyl)-N*4*-[(methyl-{2-[methyl-(morpholine-4-carbonyl)-amino]-ethyl}-carbamoyl)-methyl]-N*4*-((S)-1-phenyl-ethyl)-succinamide::CHEMBL430781

SMILES: CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(=O)N(CC(=O)N(C)CCN(C)C(=O)N1CCOCC1)[C@@H](C)c1ccccc1)Cc1csc(N)n1

InChI Key: InChIKey=TYLSXDULXDNDBD-NRGLOYHDSA-N

Data: 1 K_off  1 K_on

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 = 50291951   

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))	BDBM50291951 ((R)-2-(2-Amino-thiazol-4-ylmethyl)-N*1*-((1S,2R,3S...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(=O)N(CC(=O)N(C)CCN(C)C(=O)N1CCOCC1)[C@@H](C)c1ccccc1)Cc1csc(N)n1 Show InChI InChI=1S/C41H65N7O7S/c1-28(2)22-35(49)38(52)34(23-30-12-8-6-9-13-30)44-39(53)32(24-33-27-56-40(42)43-33)25-36(50)48(29(3)31-14-10-7-11-15-31)26-37(51)45(4)16-17-46(5)41(54)47-18-20-55-21-19-47/h7,10-11,14-15,27-30,32,34-35,38,49,52H,6,8-9,12-13,16-26H2,1-5H3,(H2,42,43)(H,44,53)/t29-,32+,34-,35-,38+/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	n/a	n/a	n/a	0.00133	5.43E+6	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Component acylation rate constant by the compound against Renin was determined				J Med Chem 38: 1751-61 (1995) BindingDB Entry DOI: 10.7270/Q2K35SQR
					More data for this Ligand-Target Pair