null

SMILES: C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccc(NC2CCN(C)CC2)nc1)c1ccccc1Cl

InChI Key: InChIKey=VPGSHWKKZVAVBK-LJQANCHMSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50323099   

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))	BDBM50323099 ((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(6-(1-methyl...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccc(NC2CCN(C)CC2)nc1)c1ccccc1Cl |r| Show InChI InChI=1S/C31H31ClN6O2S/c1-19(23-5-3-4-6-24(23)32)40-27-16-29(41-30(27)31(33)39)38-18-35-25-15-20(7-9-26(25)38)21-8-10-28(34-17-21)36-22-11-13-37(2)14-12-22/h3-10,15-19,22H,11-14H2,1-2H3,(H2,33,39)(H,34,36)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9 using 7-methoxy-4-trifluoromethylcoumarin-3-acetic acid as substrate by fluorescence plate reader				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323099 ((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(6-(1-methyl...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccc(NC2CCN(C)CC2)nc1)c1ccccc1Cl |r| Show InChI InChI=1S/C31H31ClN6O2S/c1-19(23-5-3-4-6-24(23)32)40-27-16-29(41-30(27)31(33)39)38-18-35-25-15-20(7-9-26(25)38)21-8-10-28(34-17-21)36-22-11-13-37(2)14-12-22/h3-10,15-19,22H,11-14H2,1-2H3,(H2,33,39)(H,34,36)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50323099 ((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(6-(1-methyl...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccc(NC2CCN(C)CC2)nc1)c1ccccc1Cl |r| Show InChI InChI=1S/C31H31ClN6O2S/c1-19(23-5-3-4-6-24(23)32)40-27-16-29(41-30(27)31(33)39)38-18-35-25-15-20(7-9-26(25)38)21-8-10-28(34-17-21)36-22-11-13-37(2)14-12-22/h3-10,15-19,22H,11-14H2,1-2H3,(H2,33,39)(H,34,36)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using 7-benzyloxyquinoline as substrate by fluorescence plate reader				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50323099 ((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(6-(1-methyl...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccc(NC2CCN(C)CC2)nc1)c1ccccc1Cl |r| Show InChI InChI=1S/C31H31ClN6O2S/c1-19(23-5-3-4-6-24(23)32)40-27-16-29(41-30(27)31(33)39)38-18-35-25-15-20(7-9-26(25)38)21-8-10-28(34-17-21)36-22-11-13-37(2)14-12-22/h3-10,15-19,22H,11-14H2,1-2H3,(H2,33,39)(H,34,36)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using diethoxyfluorescein as substrate by fluorescence plate reader				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair