BDBM50380987 CHEMBL2017097

SMILES: O[C@@]1(CCNC[C@@H]1c1onc(c1Br)-c1cccc(Cl)c1Cl)c1ccc(F)c(F)c1

InChI Key: InChIKey=OZFKVMALEJNYGS-ODXCJYRJSA-N

Data: 3 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 3 hits for monomerid = 50380987   

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))	BDBM50380987 (CHEMBL2017097) Show SMILES O[C@@]1(CCNC[C@@H]1c1onc(c1Br)-c1cccc(Cl)c1Cl)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C20H15BrCl2F2N2O2/c21-16-18(11-2-1-3-13(22)17(11)23)27-29-19(16)12-9-26-7-6-20(12,28)10-4-5-14(24)15(25)8-10/h1-5,8,12,26,28H,6-7,9H2/t12-,20+/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	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by fluorescence analysis				Bioorg Med Chem Lett 22: 2670-4 (2012) Article DOI: 10.1016/j.bmcl.2012.03.014 BindingDB Entry DOI: 10.7270/Q2MW2J5S
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50380987 (CHEMBL2017097) Show SMILES O[C@@]1(CCNC[C@@H]1c1onc(c1Br)-c1cccc(Cl)c1Cl)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C20H15BrCl2F2N2O2/c21-16-18(11-2-1-3-13(22)17(11)23)27-29-19(16)12-9-26-7-6-20(12,28)10-4-5-14(24)15(25)8-10/h1-5,8,12,26,28H,6-7,9H2/t12-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4-mediated conversion of testosterone to 6-beta-hydroxy-testosterone after 30 mins				Bioorg Med Chem Lett 22: 2670-4 (2012) Article DOI: 10.1016/j.bmcl.2012.03.014 BindingDB Entry DOI: 10.7270/Q2MW2J5S
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50380987 (CHEMBL2017097) Show SMILES O[C@@]1(CCNC[C@@H]1c1onc(c1Br)-c1cccc(Cl)c1Cl)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C20H15BrCl2F2N2O2/c21-16-18(11-2-1-3-13(22)17(11)23)27-29-19(16)12-9-26-7-6-20(12,28)10-4-5-14(24)15(25)8-10/h1-5,8,12,26,28H,6-7,9H2/t12-,20+/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	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate pretreated for 10 mins measured after 3 hrs ...				Bioorg Med Chem Lett 22: 2670-4 (2012) Article DOI: 10.1016/j.bmcl.2012.03.014 BindingDB Entry DOI: 10.7270/Q2MW2J5S
					More data for this Ligand-Target Pair