BDBM198662 US9221791, 31

SMILES: OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(F)nc1

InChI Key: InChIKey=BPJZEQQYTJUNIW-UHFFFAOYSA-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 = 198662   

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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM198662 (US9221791, 31) Show SMILES OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(F)nc1 Show InChI InChI=1S/C20H13F5N6O/c21-14-3-4-15(16(22)7-14)19(32,10-31-11-28-29-30-31)20(24,25)17-5-1-12(8-26-17)13-2-6-18(23)27-9-13/h1-9,11,32H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Viamet Pharmaceuticals, Inc. US Patent					Assay Description Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 uM by serial dilution with DMSO:M...				US Patent US9221791 (2015) BindingDB Entry DOI: 10.7270/Q24M93B6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM198662 (US9221791, 31) Show SMILES OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(F)nc1 Show InChI InChI=1S/C20H13F5N6O/c21-14-3-4-15(16(22)7-14)19(32,10-31-11-28-29-30-31)20(24,25)17-5-1-12(8-26-17)13-2-6-18(23)27-9-13/h1-9,11,32H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Viamet Pharmaceuticals, Inc. US Patent					Assay Description Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 uM by serial dilution with DMSO:M...				US Patent US9221791 (2015) BindingDB Entry DOI: 10.7270/Q24M93B6
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM198662 (US9221791, 31) Show SMILES OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(F)nc1 Show InChI InChI=1S/C20H13F5N6O/c21-14-3-4-15(16(22)7-14)19(32,10-31-11-28-29-30-31)20(24,25)17-5-1-12(8-26-17)13-2-6-18(23)27-9-13/h1-9,11,32H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Viamet Pharmaceuticals, Inc. US Patent					Assay Description Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 uM by serial dilution with DMSO:M...				US Patent US9221791 (2015) BindingDB Entry DOI: 10.7270/Q24M93B6
					More data for this Ligand-Target Pair