BDBM50399009 CHEMBL2178254

SMILES: Cn1cc(NC(=O)c2cnn3ccc(N)nc23)c(n1)-c1cccc(Cl)c1

InChI Key: InChIKey=TTWJUJRTJUODCG-UHFFFAOYSA-N

Data: 1 KI  5 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 6 hits for monomerid = 50399009   

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))	BDBM50399009 (CHEMBL2178254) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N)nc23)c(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H14ClN7O/c1-24-9-13(15(23-24)10-3-2-4-11(18)7-10)21-17(26)12-8-20-25-6-5-14(19)22-16(12)25/h2-9H,1H3,(H2,19,22)(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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))	BDBM50399009 (CHEMBL2178254) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N)nc23)c(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H14ClN7O/c1-24-9-13(15(23-24)10-3-2-4-11(18)7-10)21-17(26)12-8-20-25-6-5-14(19)22-16(12)25/h2-9H,1H3,(H2,19,22)(H,21,26)	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	>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 1A (Homo sapiens (Human))	BDBM50399009 (CHEMBL2178254) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N)nc23)c(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H14ClN7O/c1-24-9-13(15(23-24)10-3-2-4-11(18)7-10)21-17(26)12-8-20-25-6-5-14(19)22-16(12)25/h2-9H,1H3,(H2,19,22)(H,21,26)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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))	BDBM50399009 (CHEMBL2178254) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N)nc23)c(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H14ClN7O/c1-24-9-13(15(23-24)10-3-2-4-11(18)7-10)21-17(26)12-8-20-25-6-5-14(19)22-16(12)25/h2-9H,1H3,(H2,19,22)(H,21,26)	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	>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 2C9 (Homo sapiens (Human))	BDBM50399009 (CHEMBL2178254) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N)nc23)c(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H14ClN7O/c1-24-9-13(15(23-24)10-3-2-4-11(18)7-10)21-17(26)12-8-20-25-6-5-14(19)22-16(12)25/h2-9H,1H3,(H2,19,22)(H,21,26)	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	>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 2D6 (Homo sapiens (Human))	BDBM50399009 (CHEMBL2178254) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N)nc23)c(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H14ClN7O/c1-24-9-13(15(23-24)10-3-2-4-11(18)7-10)21-17(26)12-8-20-25-6-5-14(19)22-16(12)25/h2-9H,1H3,(H2,19,22)(H,21,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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