BDBM50380985 CHEMBL2016937

SMILES: O[C@@]1(CCNC[C@@H]1c1cc(no1)-c1ccc(F)cc1Cl)c1ccc(F)c(F)c1

InChI Key: InChIKey=LQMJDFXYANXGEK-VLIAUNLRSA-N

Data: 1 KI  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 4 hits for monomerid = 50380985   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50380985 (CHEMBL2016937) Show SMILES O[C@@]1(CCNC[C@@H]1c1cc(no1)-c1ccc(F)cc1Cl)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C20H16ClF3N2O2/c21-15-8-12(22)2-3-13(15)18-9-19(28-26-18)14-10-25-6-5-20(14,27)11-1-4-16(23)17(24)7-11/h1-4,7-9,14,25,27H,5-6,10H2/t14-,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	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Binding affinity to human Erg				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))	BDBM50380985 (CHEMBL2016937) Show SMILES O[C@@]1(CCNC[C@@H]1c1cc(no1)-c1ccc(F)cc1Cl)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C20H16ClF3N2O2/c21-15-8-12(22)2-3-13(15)18-9-19(28-26-18)14-10-25-6-5-20(14,27)11-1-4-16(23)17(24)7-11/h1-4,7-9,14,25,27H,5-6,10H2/t14-,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	7.00E+3	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))	BDBM50380985 (CHEMBL2016937) Show SMILES O[C@@]1(CCNC[C@@H]1c1cc(no1)-c1ccc(F)cc1Cl)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C20H16ClF3N2O2/c21-15-8-12(22)2-3-13(15)18-9-19(28-26-18)14-10-25-6-5-20(14,27)11-1-4-16(23)17(24)7-11/h1-4,7-9,14,25,27H,5-6,10H2/t14-,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	2.50E+3	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
Renin (Homo sapiens (Human))	BDBM50380985 (CHEMBL2016937) Show SMILES O[C@@]1(CCNC[C@@H]1c1cc(no1)-c1ccc(F)cc1Cl)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C20H16ClF3N2O2/c21-15-8-12(22)2-3-13(15)18-9-19(28-26-18)14-10-25-6-5-20(14,27)11-1-4-16(23)17(24)7-11/h1-4,7-9,14,25,27H,5-6,10H2/t14-,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	>9.50E+3	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