BDBM50343724 (S)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5-isopropoxy-1H-pyrazol-3-ylamino)nicotinonitrile::CHEMBL1774054

SMILES: CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)c(cc2F)C#N)[nH]n1

InChI Key: InChIKey=QRAQXWWNHQMCBH-LBPRGKRZSA-N

Data: 2 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 2 hits for monomerid = 50343724   

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 JAK3 (Homo sapiens (Human))	BDBM50343724 ((S)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5...) Show SMILES CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)c(cc2F)C#N)[nH]n1 |r| Show InChI InChI=1S/C20H20F2N6O/c1-11(2)29-18-9-17(27-28-18)25-20-16(22)8-14(10-23)19(26-20)24-12(3)13-4-6-15(21)7-5-13/h4-9,11-12H,1-3H3,(H3,24,25,26,27,28)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of JAK3 after 60 min				Bioorg Med Chem Lett 21: 2958-61 (2011) Article DOI: 10.1016/j.bmcl.2011.03.053 BindingDB Entry DOI: 10.7270/Q2PN95ZD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50343724 ((S)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5...) Show SMILES CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)c(cc2F)C#N)[nH]n1 |r| Show InChI InChI=1S/C20H20F2N6O/c1-11(2)29-18-9-17(27-28-18)25-20-16(22)8-14(10-23)19(26-20)24-12(3)13-4-6-15(21)7-5-13/h4-9,11-12H,1-3H3,(H3,24,25,26,27,28)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	688	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of JAK2 after 60 min				Bioorg Med Chem Lett 21: 2958-61 (2011) Article DOI: 10.1016/j.bmcl.2011.03.053 BindingDB Entry DOI: 10.7270/Q2PN95ZD
					More data for this Ligand-Target Pair