Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1 [837-1142]' and Ligand = 'BDBM262166'   

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 [837-1142] (Homo sapiens (Human))	BDBM262166 (5-{3-(cyanomethyl)- 3-[4-(1H-pyrrolo[2,3- b]pyridi...) Show SMILES CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C23H23N9O/c1-15(2)30-22(33)19-10-28-20(11-27-19)31-13-23(14-31,5-6-24)32-12-16(9-29-32)17-3-7-25-21-18(17)4-8-26-21/h3-4,7-12,15H,5,13-14H2,1-2H3,(H,25,26)(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 pathway inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK target...				Citation and Details BindingDB Entry DOI: 10.7270/Q24F1TW9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM262166 (5-{3-(cyanomethyl)- 3-[4-(1H-pyrrolo[2,3- b]pyridi...) Show SMILES CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C23H23N9O/c1-15(2)30-22(33)19-10-28-20(11-27-19)31-13-23(14-31,5-6-24)32-12-16(9-29-32)17-3-7-25-21-18(17)4-8-26-21/h3-4,7-12,15H,5,13-14H2,1-2H3,(H,25,26)(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The compounds in Table 1 were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analy...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BP05Z7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM262166 (5-{3-(cyanomethyl)- 3-[4-(1H-pyrrolo[2,3- b]pyridi...) Show SMILES CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C23H23N9O/c1-15(2)30-22(33)19-10-28-20(11-27-19)31-13-23(14-31,5-6-24)32-12-16(9-29-32)17-3-7-25-21-18(17)4-8-26-21/h3-4,7-12,15H,5,13-14H2,1-2H3,(H,25,26)(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM262166 (5-{3-(cyanomethyl)- 3-[4-(1H-pyrrolo[2,3- b]pyridi...) Show SMILES CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C23H23N9O/c1-15(2)30-22(33)19-10-28-20(11-27-19)31-13-23(14-31,5-6-24)32-12-16(9-29-32)17-3-7-25-21-18(17)4-8-26-21/h3-4,7-12,15H,5,13-14H2,1-2H3,(H,25,26)(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The catalytic domains of human JAK1 (a.a. 837-1142), JAK2 (a.a. 828-1132) and JAK3 (a.a. 781-1124) with an N-terminal His tag were expressed using ba...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K93BQP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM262166 (5-{3-(cyanomethyl)- 3-[4-(1H-pyrrolo[2,3- b]pyridi...) Show SMILES CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C23H23N9O/c1-15(2)30-22(33)19-10-28-20(11-27-19)31-13-23(14-31,5-6-24)32-12-16(9-29-32)17-3-7-25-21-18(17)4-8-26-21/h3-4,7-12,15H,5,13-14H2,1-2H3,(H,25,26)(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Selective JAK1 inhibitors that can be used in combination with an immunomodulatory agent and steroid for the treatment of hematological diseases or d...				Citation and Details BindingDB Entry DOI: 10.7270/Q2M61PG6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [837-1142] (Homo sapiens (Human))	BDBM262166 (5-{3-(cyanomethyl)- 3-[4-(1H-pyrrolo[2,3- b]pyridi...) Show SMILES CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C23H23N9O/c1-15(2)30-22(33)19-10-28-20(11-27-19)31-13-23(14-31,5-6-24)32-12-16(9-29-32)17-3-7-25-21-18(17)4-8-26-21/h3-4,7-12,15H,5,13-14H2,1-2H3,(H,25,26)(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description JAK1 inhibitors that can be used for the treatment of cytokine-related diseases or disorders are tested for inhibitory activity of JAK targets accord...				Citation and Details BindingDB Entry DOI: 10.7270/Q2902702
					More data for this Ligand-Target Pair