null

SMILES: Cc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnc2[nH]ccc12

InChI Key: InChIKey=OYFHYNGYRZEOJP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50069326   

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))	BDBM50069326 (CHEMBL3403541 | US9688661, 1-(5-Chloro-2-methylphe...) Show SMILES Cc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H14ClN5O/c1-10-2-3-12(19)7-14(10)24-8-11(6-15(24)17(20)25)16-13-4-5-21-18(13)23-9-22-16/h2-9H,1H3,(H2,20,25)(H,21,22,23)	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	1	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
Non-receptor tyrosine-protein kinase TYK2 [833-1187] (Homo sapiens (Human))	BDBM50069326 (CHEMBL3403541 | US9688661, 1-(5-Chloro-2-methylphe...) Show SMILES Cc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H14ClN5O/c1-10-2-3-12(19)7-14(10)24-8-11(6-15(24)17(20)25)16-13-4-5-21-18(13)23-9-22-16/h2-9H,1H3,(H2,20,25)(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	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 TYK2 kinase domain (residues 833-1187 of the 1187 amino acid long full-length sequence, accession number P29597 of Uni...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50069326 (CHEMBL3403541 | US9688661, 1-(5-Chloro-2-methylphe...) Show SMILES Cc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H14ClN5O/c1-10-2-3-12(19)7-14(10)24-8-11(6-15(24)17(20)25)16-13-4-5-21-18(13)23-9-22-16/h2-9H,1H3,(H2,20,25)(H,21,22,23)	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	1	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))	BDBM50069326 (CHEMBL3403541 | US9688661, 1-(5-Chloro-2-methylphe...) Show SMILES Cc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H14ClN5O/c1-10-2-3-12(19)7-14(10)24-8-11(6-15(24)17(20)25)16-13-4-5-21-18(13)23-9-22-16/h2-9H,1H3,(H2,20,25)(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	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