null

SMILES: NC(=O)c1cc(cn1-c1cc(ccc1Cl)C(F)(F)F)-c1cc(N)ncn1

InChI Key: InChIKey=RGAHQPSLTLDDDU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50069318   

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))	BDBM50069318 (CHEMBL3403547 | US9688661, 4-(6-Aminopyrimidin-4-y...) Show SMILES NC(=O)c1cc(cn1-c1cc(ccc1Cl)C(F)(F)F)-c1cc(N)ncn1 Show InChI InChI=1S/C16H11ClF3N5O/c17-10-2-1-9(16(18,19)20)4-12(10)25-6-8(3-13(25)15(22)26)11-5-14(21)24-7-23-11/h1-7H,(H2,22,26)(H2,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc...				Bioorg Med Chem 23: 2387-407 (2015) Article DOI: 10.1016/j.bmc.2015.03.059 BindingDB Entry DOI: 10.7270/Q2Q52RB6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50069318 (CHEMBL3403547 | US9688661, 4-(6-Aminopyrimidin-4-y...) Show SMILES NC(=O)c1cc(cn1-c1cc(ccc1Cl)C(F)(F)F)-c1cc(N)ncn1 Show InChI InChI=1S/C16H11ClF3N5O/c17-10-2-1-9(16(18,19)20)4-12(10)25-6-8(3-13(25)15(22)26)11-5-14(21)24-7-23-11/h1-7H,(H2,22,26)(H2,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [861-1152] (Homo sapiens (Human))	BDBM50069318 (CHEMBL3403547 | US9688661, 4-(6-Aminopyrimidin-4-y...) Show SMILES NC(=O)c1cc(cn1-c1cc(ccc1Cl)C(F)(F)F)-c1cc(N)ncn1 Show InChI InChI=1S/C16H11ClF3N5O/c17-10-2-1-9(16(18,19)20)4-12(10)25-6-8(3-13(25)15(22)26)11-5-14(21)24-7-23-11/h1-7H,(H2,22,26)(H2,21,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair