BDBM50234903 CHEMBL4103980

SMILES: CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1

InChI Key: InChIKey=KMYGGZYNDYWFNT-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 = 50234903   

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))	BDBM50234903 (CHEMBL4103980) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C22H17FN4O/c1-2-12-10-20(28)16(23)11-15(12)13-7-8-14-19(9-13)26-27-21(14)22-24-17-5-3-4-6-18(17)25-22/h3-11,28H,2H2,1H3,(H,24,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	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))	BDBM50234903 (CHEMBL4103980) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C22H17FN4O/c1-2-12-10-20(28)16(23)11-15(12)13-7-8-14-19(9-13)26-27-21(14)22-24-17-5-3-4-6-18(17)25-22/h3-11,28H,2H2,1H3,(H,24,25)(H,26,27)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	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))	BDBM50234903 (CHEMBL4103980) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C22H17FN4O/c1-2-12-10-20(28)16(23)11-15(12)13-7-8-14-19(9-13)26-27-21(14)22-24-17-5-3-4-6-18(17)25-22/h3-11,28H,2H2,1H3,(H,24,25)(H,26,27)	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	17	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))	BDBM50234903 (CHEMBL4103980) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C22H17FN4O/c1-2-12-10-20(28)16(23)11-15(12)13-7-8-14-19(9-13)26-27-21(14)22-24-17-5-3-4-6-18(17)25-22/h3-11,28H,2H2,1H3,(H,24,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.90	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