BDBM50234905 CHEMBL4078165

SMILES: CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)C(=O)NC

InChI Key: InChIKey=JEFYVQHLUYYMLG-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50234905   

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 JAK1 (Homo sapiens (Human))	BDBM50234905 (CHEMBL4078165) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)C(=O)NC Show InChI InChI=1S/C17H17N3O2/c1-3-10-8-12(21)5-7-13(10)11-4-6-14-15(9-11)19-20-16(14)17(22)18-2/h4-9,21H,3H2,1-2H3,(H,18,22)(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...				J Med Chem 60: 767-786 (2017) BindingDB Entry DOI: 10.7270/Q24J0HDZ
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50234905 (CHEMBL4078165) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)C(=O)NC Show InChI InChI=1S/C17H17N3O2/c1-3-10-8-12(21)5-7-13(10)11-4-6-14-15(9-11)19-20-16(14)17(22)18-2/h4-9,21H,3H2,1-2H3,(H,18,22)(H,19,20)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	796	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Tyk2 (unknown origin) using peptide substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by mic...				J Med Chem 60: 767-786 (2017) BindingDB Entry DOI: 10.7270/Q24J0HDZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50234905 (CHEMBL4078165) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)C(=O)NC Show InChI InChI=1S/C17H17N3O2/c1-3-10-8-12(21)5-7-13(10)11-4-6-14-15(9-11)19-20-16(14)17(22)18-2/h4-9,21H,3H2,1-2H3,(H,18,22)(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of GST tagged human recombinant JAK3 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...				J Med Chem 60: 767-786 (2017) BindingDB Entry DOI: 10.7270/Q24J0HDZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50234905 (CHEMBL4078165) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)C(=O)NC Show InChI InChI=1S/C17H17N3O2/c1-3-10-8-12(21)5-7-13(10)11-4-6-14-15(9-11)19-20-16(14)17(22)18-2/h4-9,21H,3H2,1-2H3,(H,18,22)(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of GST tagged human recombinant JAK2 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...				J Med Chem 60: 767-786 (2017) BindingDB Entry DOI: 10.7270/Q24J0HDZ
					More data for this Ligand-Target Pair