BDBM50387272 CHEMBL2048576

SMILES: CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1F)C(=O)NCC(C)(C)C(N)=O

InChI Key: InChIKey=WOZRGLQDPQHJIL-CUWPLCDZSA-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 = 50387272   

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 (Macaca fascicularis)	BDBM50387272 (CHEMBL2048576) Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1F)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C26H41F2N5O4/c1-15(2)17(23(36)31-13-25(3,4)24(30)37)10-21(34)19(29)11-32-12-22(35)33(14-26(32,5)6)20-9-16(27)7-8-18(20)28/h7-9,15,17,19,21,34H,10-14,29H2,1-6H3,(H2,30,37)(H,31,36)/t17-,19-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of renin in cynomolgus monkey plasma				Bioorg Med Chem Lett 22: 4561-6 (2012) Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50387272 (CHEMBL2048576) Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1F)C(=O)NCC(C)(C)C(N)=O |r| Show InChI InChI=1S/C26H41F2N5O4/c1-15(2)17(23(36)31-13-25(3,4)24(30)37)10-21(34)19(29)11-32-12-22(35)33(14-26(32,5)6)20-9-16(27)7-8-18(20)28/h7-9,15,17,19,21,34H,10-14,29H2,1-6H3,(H2,30,37)(H,31,36)/t17-,19-,21-/m0/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	2	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human purified renin				Bioorg Med Chem Lett 22: 4561-6 (2012) Article DOI: 10.1016/j.bmcl.2012.05.092 BindingDB Entry DOI: 10.7270/Q2BK1DD9
					More data for this Ligand-Target Pair