Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Ligand = 'BDBM124183'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM124183 (US10221160, Example 2 | US11247981, Example 2 | US...) Show SMILES OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H14F7N5O/c23-16-6-7-17(18(24)9-16)20(35,11-34-12-31-32-33-34)21(25,26)19-8-3-14(10-30-19)13-1-4-15(5-2-13)22(27,28)29/h1-10,12,35H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Viamet Pharmaceuticals, Inc. US Patent					Assay Description Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively...				US Patent US8754227 (2014) BindingDB Entry DOI: 10.7270/Q2B56HFR
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM124183 (US10221160, Example 2 | US11247981, Example 2 | US...) Show SMILES OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H14F7N5O/c23-16-6-7-17(18(24)9-16)20(35,11-34-12-31-32-33-34)21(25,26)19-8-3-14(10-30-19)13-1-4-15(5-2-13)22(27,28)29/h1-10,12,35H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76GSF
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM124183 (US10221160, Example 2 | US11247981, Example 2 | US...) Show SMILES OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H14F7N5O/c23-16-6-7-17(18(24)9-16)20(35,11-34-12-31-32-33-34)21(25,26)19-8-3-14(10-30-19)13-1-4-15(5-2-13)22(27,28)29/h1-10,12,35H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mycovia Pharmaceuticals, Inc. US Patent					Assay Description Pooled human liver microsome suspension (20 mg/mL) was diluted with phosphate buffer to obtain a 5 mg/mL suspension. A solution of NADPH was prepared...				US Patent US10221160 (2019) BindingDB Entry DOI: 10.7270/Q2736T6Q
					More data for this Ligand-Target Pair