BDBM50328912 (3R,4S)-4-(4-((3-(2-chloro-3,6-difluorophenyl)isoxazol-5-yl)methoxy)phenyl)-N-(2-chloro-5-(3-methoxypropyl)benzyl)-N-cyclopropylpiperidine-3-carboxamide::CHEMBL1269750

SMILES: COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(no3)-c3c(F)ccc(F)c3Cl)cc2)c1

InChI Key: InChIKey=BIWLWXCWEBBLDR-WDYNHAJCSA-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 = 50328912   

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))	BDBM50328912 ((3R,4S)-4-(4-((3-(2-chloro-3,6-difluorophenyl)isox...) Show SMILES COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(no3)-c3c(F)ccc(F)c3Cl)cc2)c1 |r| Show InChI InChI=1S/C36H37Cl2F2N3O4/c1-45-16-2-3-22-4-11-30(37)24(17-22)20-43(25-7-8-25)36(44)29-19-41-15-14-28(29)23-5-9-26(10-6-23)46-21-27-18-33(42-47-27)34-31(39)12-13-32(40)35(34)38/h4-6,9-13,17-18,25,28-29,41H,2-3,7-8,14-16,19-21H2,1H3/t28-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in plasma				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50328912 ((3R,4S)-4-(4-((3-(2-chloro-3,6-difluorophenyl)isox...) Show SMILES COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(no3)-c3c(F)ccc(F)c3Cl)cc2)c1 |r| Show InChI InChI=1S/C36H37Cl2F2N3O4/c1-45-16-2-3-22-4-11-30(37)24(17-22)20-43(25-7-8-25)36(44)29-19-41-15-14-28(29)23-5-9-26(10-6-23)46-21-27-18-33(42-47-27)34-31(39)12-13-32(40)35(34)38/h4-6,9-13,17-18,25,28-29,41H,2-3,7-8,14-16,19-21H2,1H3/t28-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of renin in buffer				Bioorg Med Chem Lett 20: 6291-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C
					More data for this Ligand-Target Pair