BDBM50230367 CHEMBL3143442

SMILES: CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

InChI Key: InChIKey=IKAWNXSCDNJDJY-PSWCNGLWSA-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 = 50230367   

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))	BDBM50230367 (CHEMBL3143442) Show SMILES CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO Show InChI InChI=1S/C33H56N4O8/c1-4-12-23(35-32(44)25(18-22-15-10-7-11-16-22)37-33(45)27(34)20(3)5-2)31(43)36-24(17-21-13-8-6-9-14-21)28(40)30(42)29(41)26(39)19-38/h7,10-11,15-16,20-21,23-30,38-42H,4-6,8-9,12-14,17-19,34H2,1-3H3,(H,35,44)(H,36,43)(H,37,45)/t20-,23-,24-,25-,26+,27-,28+,29+,30+/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	110	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of human kidney renin				J Med Chem 35: 559-67 (1992) BindingDB Entry DOI: 10.7270/Q24748TV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50230367 (CHEMBL3143442) Show SMILES CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO Show InChI InChI=1S/C33H56N4O8/c1-4-12-23(35-32(44)25(18-22-15-10-7-11-16-22)37-33(45)27(34)20(3)5-2)31(43)36-24(17-21-13-8-6-9-14-21)28(40)30(42)29(41)26(39)19-38/h7,10-11,15-16,20-21,23-30,38-42H,4-6,8-9,12-14,17-19,34H2,1-3H3,(H,35,44)(H,36,43)(H,37,45)/t20-,23-,24-,25-,26+,27-,28+,29+,30+/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	50	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of rhesus monkey plasma renin				J Med Chem 35: 559-67 (1992) BindingDB Entry DOI: 10.7270/Q24748TV
					More data for this Ligand-Target Pair