Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM147798'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM147798 (US10875847, Reference Compound A | US8962608, 28-1...) Show SMILES CN(C)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r| Show InChI InChI=1S/C19H23ClN6O/c1-25(2)15-7-8-17(12(9-15)10-21)26-11-16(18(22)27)19(24-26)23-14-5-3-13(20)4-6-14/h3-6,11-12,15,17H,7-9H2,1-2H3,(H2,22,27)(H,23,24)/t12-,15+,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US8962608 (2015) BindingDB Entry DOI: 10.7270/Q2J101W0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM147798 (US10875847, Reference Compound A | US8962608, 28-1...) Show SMILES CN(C)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r| Show InChI InChI=1S/C19H23ClN6O/c1-25(2)15-7-8-17(12(9-15)10-21)26-11-16(18(22)27)19(24-26)23-14-5-3-13(20)4-6-14/h3-6,11-12,15,17H,7-9H2,1-2H3,(H2,22,27)(H,23,24)/t12-,15+,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human JAK1 catalytic domain expressed in baculovirus expression system using LCB-EQEDEPEGDYFEWLW-NH2 as substrat...				J Med Chem 60: 9676-9690 (2017) Article DOI: 10.1021/acs.jmedchem.7b01135 BindingDB Entry DOI: 10.7270/Q20867RD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM147798 (US10875847, Reference Compound A | US8962608, 28-1...) Show SMILES CN(C)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r| Show InChI InChI=1S/C19H23ClN6O/c1-25(2)15-7-8-17(12(9-15)10-21)26-11-16(18(22)27)19(24-26)23-14-5-3-13(20)4-6-14/h3-6,11-12,15,17H,7-9H2,1-2H3,(H2,22,27)(H,23,24)/t12-,15+,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.67	n/a	n/a	n/a	n/a	n/a	n/a
Intervet Inc. US Patent									US Patent US10875847 (2020) BindingDB Entry DOI: 10.7270/Q2P55RMM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM147798 (US10875847, Reference Compound A | US8962608, 28-1...) Show SMILES CN(C)[C@H]1CC[C@@H]([C@H](C1)C#N)n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 |r| Show InChI InChI=1S/C19H23ClN6O/c1-25(2)15-7-8-17(12(9-15)10-21)26-11-16(18(22)27)19(24-26)23-14-5-3-13(20)4-6-14/h3-6,11-12,15,17H,7-9H2,1-2H3,(H2,22,27)(H,23,24)/t12-,15+,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Inhibition of JAK1 in IL6-stimulated human ME180 cells expressing stably integrated beta-lactamase reporter gene under control of sis-inducible eleme...				J Med Chem 60: 9676-9690 (2017) Article DOI: 10.1021/acs.jmedchem.7b01135 BindingDB Entry DOI: 10.7270/Q20867RD
					More data for this Ligand-Target Pair