BDBM50280237 (1S,2R,3S)-2-(2-Methoxymethoxy-ethanesulfonyl)-3-phenyl-cyclopropanecarboxylic acid [(S)-1-((1S,2R,3S)-1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-2-thiazol-4-yl-ethyl]-amide::CHEMBL30672

SMILES: COCOCCS(=O)(=O)[C@H]1[C@@H]([C@H]1c1ccccc1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C

InChI Key: InChIKey=RTSVASATXQMPJW-HXZLNTDVSA-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 = 50280237   

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))	BDBM50280237 ((1S,2R,3S)-2-(2-Methoxymethoxy-ethanesulfonyl)-3-p...) Show SMILES COCOCCS(=O)(=O)[C@H]1[C@@H]([C@H]1c1ccccc1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C34H51N3O8S2/c1-22(2)16-28(38)31(39)26(17-23-10-6-4-7-11-23)36-33(40)27(18-25-19-46-20-35-25)37-34(41)30-29(24-12-8-5-9-13-24)32(30)47(42,43)15-14-45-21-44-3/h5,8-9,12-13,19-20,22-23,26-32,38-39H,4,6-7,10-11,14-18,21H2,1-3H3,(H,36,40)(H,37,41)/t26-,27-,28-,29+,30+,31+,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	16	n/a	n/a	n/a	n/a	7.4	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of human plasma renin at PH 7.4				Bioorg Med Chem Lett 2: 1405-1410 (1992) Article DOI: 10.1016/S0960-894X(00)80522-3 BindingDB Entry DOI: 10.7270/Q2VD6ZBV
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50280237 ((1S,2R,3S)-2-(2-Methoxymethoxy-ethanesulfonyl)-3-p...) Show SMILES COCOCCS(=O)(=O)[C@H]1[C@@H]([C@H]1c1ccccc1)C(=O)N[C@@H](Cc1cscn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C34H51N3O8S2/c1-22(2)16-28(38)31(39)26(17-23-10-6-4-7-11-23)36-33(40)27(18-25-19-46-20-35-25)37-34(41)30-29(24-12-8-5-9-13-24)32(30)47(42,43)15-14-45-21-44-3/h5,8-9,12-13,19-20,22-23,26-32,38-39H,4,6-7,10-11,14-18,21H2,1-3H3,(H,36,40)(H,37,41)/t26-,27-,28-,29+,30+,31+,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.480	n/a	n/a	n/a	n/a	6.0	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of purified human renin at PH 6.0				Bioorg Med Chem Lett 2: 1405-1410 (1992) Article DOI: 10.1016/S0960-894X(00)80522-3 BindingDB Entry DOI: 10.7270/Q2VD6ZBV
					More data for this Ligand-Target Pair