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SMILES: Clc1cccc(c1)-c1ncccc1NC(=O)c1cnn2cccnc12

InChI Key: InChIKey=MQGLDOPILNOMIH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50399013   

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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50399013 (CHEMBL2178248) Show SMILES Clc1cccc(c1)-c1ncccc1NC(=O)c1cnn2cccnc12 Show InChI InChI=1S/C18H12ClN5O/c19-13-5-1-4-12(10-13)16-15(6-2-7-20-16)23-18(25)14-11-22-24-9-3-8-21-17(14)24/h1-11H,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of purified JAK2 incubated for 30 mins				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50399013 (CHEMBL2178248) Show SMILES Clc1cccc(c1)-c1ncccc1NC(=O)c1cnn2cccnc12 Show InChI InChI=1S/C18H12ClN5O/c19-13-5-1-4-12(10-13)16-15(6-2-7-20-16)23-18(25)14-11-22-24-9-3-8-21-17(14)24/h1-11H,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP2C19				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50399013 (CHEMBL2178248) Show SMILES Clc1cccc(c1)-c1ncccc1NC(=O)c1cnn2cccnc12 Show InChI InChI=1S/C18H12ClN5O/c19-13-5-1-4-12(10-13)16-15(6-2-7-20-16)23-18(25)14-11-22-24-9-3-8-21-17(14)24/h1-11H,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50399013 (CHEMBL2178248) Show SMILES Clc1cccc(c1)-c1ncccc1NC(=O)c1cnn2cccnc12 Show InChI InChI=1S/C18H12ClN5O/c19-13-5-1-4-12(10-13)16-15(6-2-7-20-16)23-18(25)14-11-22-24-9-3-8-21-17(14)24/h1-11H,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP1A2				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50399013 (CHEMBL2178248) Show SMILES Clc1cccc(c1)-c1ncccc1NC(=O)c1cnn2cccnc12 Show InChI InChI=1S/C18H12ClN5O/c19-13-5-1-4-12(10-13)16-15(6-2-7-20-16)23-18(25)14-11-22-24-9-3-8-21-17(14)24/h1-11H,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50399013 (CHEMBL2178248) Show SMILES Clc1cccc(c1)-c1ncccc1NC(=O)c1cnn2cccnc12 Show InChI InChI=1S/C18H12ClN5O/c19-13-5-1-4-12(10-13)16-15(6-2-7-20-16)23-18(25)14-11-22-24-9-3-8-21-17(14)24/h1-11H,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 55: 10090-107 (2012) Article DOI: 10.1021/jm3012239 BindingDB Entry DOI: 10.7270/Q2Q241D4
					More data for this Ligand-Target Pair