BDBM50014055 CHEMBL288347::{1-[1-[1-Cyclohexylmethyl-2-(5-ethyl-1,1-dioxo-1lambda*6*-[1,2,5]thiadiazolidin-3-yl)-2-hydroxy-ethylcarbamoyl]-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester

SMILES: CCN1C[C@H](NS1(=O)=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=XVQJMBOSZQBZAX-MYHRABSESA-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 = 50014055   

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))	BDBM50014055 (CHEMBL288347 | {1-[1-[1-Cyclohexylmethyl-2-(5-ethy...) Show SMILES CCN1C[C@H](NS1(=O)=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C33H51N7O7S/c1-5-40-20-28(39-48(40,45)46)29(41)25(16-22-12-8-6-9-13-22)36-31(43)27(18-24-19-34-21-35-24)37-30(42)26(17-23-14-10-7-11-15-23)38-32(44)47-33(2,3)4/h7,10-11,14-15,19,21-22,25-29,39,41H,5-6,8-9,12-13,16-18,20H2,1-4H3,(H,34,35)(H,36,43)(H,37,42)(H,38,44)/t25-,26-,27-,28-,29+/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	13	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of human plasma renin.				J Med Chem 33: 1582-90 (1990) BindingDB Entry DOI: 10.7270/Q2NK3D0G
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50014055 (CHEMBL288347 | {1-[1-[1-Cyclohexylmethyl-2-(5-ethy...) Show SMILES CCN1C[C@H](NS1(=O)=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C33H51N7O7S/c1-5-40-20-28(39-48(40,45)46)29(41)25(16-22-12-8-6-9-13-22)36-31(43)27(18-24-19-34-21-35-24)37-30(42)26(17-23-14-10-7-11-15-23)38-32(44)47-33(2,3)4/h7,10-11,14-15,19,21-22,25-29,39,41H,5-6,8-9,12-13,16-18,20H2,1-4H3,(H,34,35)(H,36,43)(H,37,42)(H,38,44)/t25-,26-,27-,28-,29+/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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of purified human renal renin.				J Med Chem 33: 1582-90 (1990) BindingDB Entry DOI: 10.7270/Q2NK3D0G
					More data for this Ligand-Target Pair