Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM325507'   

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 JAK2 (Homo sapiens (Human))	BDBM325507 ((1r,3r)-N,N-dimethyl-3-(4- (4-(1-(pentan-3-yl)-1H-...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@H](C1)C(=O)N(C)C |r,wU:26.32,(-.02,5.16,;-1.1,4.07,;-2.59,4.47,;-2.99,5.96,;-1.9,7.05,;-3.68,3.38,;-3.2,1.92,;-4.45,1.01,;-5.7,1.92,;-5.22,3.38,;-4.45,-.53,;-3.12,-1.3,;-3.12,-2.84,;-4.45,-3.61,;-5.78,-2.84,;-7.25,-3.31,;-8.15,-2.07,;-7.25,-.82,;-5.78,-1.3,;-1.78,-3.61,;-1.78,-5.15,;-.32,-5.62,;.59,-4.38,;-.32,-3.13,;2.13,-4.38,;3.22,-5.47,;4.3,-4.38,;3.22,-3.29,;5.84,-4.38,;6.61,-3.05,;6.61,-5.71,;5.84,-7.05,;8.15,-5.71,)| Show InChI InChI=1S/C24H30N8O/c1-5-19(6-2)30-14-18(12-27-30)23-22-7-8-25-32(22)15-21(28-23)17-11-26-31(13-17)20-9-16(10-20)24(33)29(3)4/h7-8,11-16,19-20H,5-6,9-10H2,1-4H3/t16-,20?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10189845 (2019) BindingDB Entry DOI: 10.7270/Q2Z03B7Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM325507 ((1r,3r)-N,N-dimethyl-3-(4- (4-(1-(pentan-3-yl)-1H-...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@H](C1)C(=O)N(C)C |r,wU:26.32,(-.02,5.16,;-1.1,4.07,;-2.59,4.47,;-2.99,5.96,;-1.9,7.05,;-3.68,3.38,;-3.2,1.92,;-4.45,1.01,;-5.7,1.92,;-5.22,3.38,;-4.45,-.53,;-3.12,-1.3,;-3.12,-2.84,;-4.45,-3.61,;-5.78,-2.84,;-7.25,-3.31,;-8.15,-2.07,;-7.25,-.82,;-5.78,-1.3,;-1.78,-3.61,;-1.78,-5.15,;-.32,-5.62,;.59,-4.38,;-.32,-3.13,;2.13,-4.38,;3.22,-5.47,;4.3,-4.38,;3.22,-3.29,;5.84,-4.38,;6.61,-3.05,;6.61,-5.71,;5.84,-7.05,;8.15,-5.71,)| Show InChI InChI=1S/C24H30N8O/c1-5-19(6-2)30-14-18(12-27-30)23-22-7-8-25-32(22)15-21(28-23)17-11-26-31(13-17)20-9-16(10-20)24(33)29(3)4/h7-8,11-16,19-20H,5-6,9-10H2,1-4H3/t16-,20?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10189845 (2019) BindingDB Entry DOI: 10.7270/Q2Z03B7Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM325507 ((1r,3r)-N,N-dimethyl-3-(4- (4-(1-(pentan-3-yl)-1H-...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@H](C1)C(=O)N(C)C |r,wU:26.32,(-.02,5.16,;-1.1,4.07,;-2.59,4.47,;-2.99,5.96,;-1.9,7.05,;-3.68,3.38,;-3.2,1.92,;-4.45,1.01,;-5.7,1.92,;-5.22,3.38,;-4.45,-.53,;-3.12,-1.3,;-3.12,-2.84,;-4.45,-3.61,;-5.78,-2.84,;-7.25,-3.31,;-8.15,-2.07,;-7.25,-.82,;-5.78,-1.3,;-1.78,-3.61,;-1.78,-5.15,;-.32,-5.62,;.59,-4.38,;-.32,-3.13,;2.13,-4.38,;3.22,-5.47,;4.3,-4.38,;3.22,-3.29,;5.84,-4.38,;6.61,-3.05,;6.61,-5.71,;5.84,-7.05,;8.15,-5.71,)| Show InChI InChI=1S/C24H30N8O/c1-5-19(6-2)30-14-18(12-27-30)23-22-7-8-25-32(22)15-21(28-23)17-11-26-31(13-17)20-9-16(10-20)24(33)29(3)4/h7-8,11-16,19-20H,5-6,9-10H2,1-4H3/t16-,20?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
ARRAY BIOPHARMA INC.; CELGENE CORPORATION US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US11028093 (2021) BindingDB Entry DOI: 10.7270/Q2T156RN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM325507 ((1r,3r)-N,N-dimethyl-3-(4- (4-(1-(pentan-3-yl)-1H-...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@H](C1)C(=O)N(C)C |r,wU:26.32,(-.02,5.16,;-1.1,4.07,;-2.59,4.47,;-2.99,5.96,;-1.9,7.05,;-3.68,3.38,;-3.2,1.92,;-4.45,1.01,;-5.7,1.92,;-5.22,3.38,;-4.45,-.53,;-3.12,-1.3,;-3.12,-2.84,;-4.45,-3.61,;-5.78,-2.84,;-7.25,-3.31,;-8.15,-2.07,;-7.25,-.82,;-5.78,-1.3,;-1.78,-3.61,;-1.78,-5.15,;-.32,-5.62,;.59,-4.38,;-.32,-3.13,;2.13,-4.38,;3.22,-5.47,;4.3,-4.38,;3.22,-3.29,;5.84,-4.38,;6.61,-3.05,;6.61,-5.71,;5.84,-7.05,;8.15,-5.71,)| Show InChI InChI=1S/C24H30N8O/c1-5-19(6-2)30-14-18(12-27-30)23-22-7-8-25-32(22)15-21(28-23)17-11-26-31(13-17)20-9-16(10-20)24(33)29(3)4/h7-8,11-16,19-20H,5-6,9-10H2,1-4H3/t16-,20?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc.; Celgene Corporation US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10730880 (2020) BindingDB Entry DOI: 10.7270/Q2CC13R9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM325507 ((1r,3r)-N,N-dimethyl-3-(4- (4-(1-(pentan-3-yl)-1H-...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@H](C1)C(=O)N(C)C |r,wU:26.32,(-.02,5.16,;-1.1,4.07,;-2.59,4.47,;-2.99,5.96,;-1.9,7.05,;-3.68,3.38,;-3.2,1.92,;-4.45,1.01,;-5.7,1.92,;-5.22,3.38,;-4.45,-.53,;-3.12,-1.3,;-3.12,-2.84,;-4.45,-3.61,;-5.78,-2.84,;-7.25,-3.31,;-8.15,-2.07,;-7.25,-.82,;-5.78,-1.3,;-1.78,-3.61,;-1.78,-5.15,;-.32,-5.62,;.59,-4.38,;-.32,-3.13,;2.13,-4.38,;3.22,-5.47,;4.3,-4.38,;3.22,-3.29,;5.84,-4.38,;6.61,-3.05,;6.61,-5.71,;5.84,-7.05,;8.15,-5.71,)| Show InChI InChI=1S/C24H30N8O/c1-5-19(6-2)30-14-18(12-27-30)23-22-7-8-25-32(22)15-21(28-23)17-11-26-31(13-17)20-9-16(10-20)24(33)29(3)4/h7-8,11-16,19-20H,5-6,9-10H2,1-4H3/t16-,20?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
ARRAY BIOPHARMA INC.; CELGENE CORPORATION US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US11028093 (2021) BindingDB Entry DOI: 10.7270/Q2T156RN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM325507 ((1r,3r)-N,N-dimethyl-3-(4- (4-(1-(pentan-3-yl)-1H-...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@H](C1)C(=O)N(C)C |r,wU:26.32,(-.02,5.16,;-1.1,4.07,;-2.59,4.47,;-2.99,5.96,;-1.9,7.05,;-3.68,3.38,;-3.2,1.92,;-4.45,1.01,;-5.7,1.92,;-5.22,3.38,;-4.45,-.53,;-3.12,-1.3,;-3.12,-2.84,;-4.45,-3.61,;-5.78,-2.84,;-7.25,-3.31,;-8.15,-2.07,;-7.25,-.82,;-5.78,-1.3,;-1.78,-3.61,;-1.78,-5.15,;-.32,-5.62,;.59,-4.38,;-.32,-3.13,;2.13,-4.38,;3.22,-5.47,;4.3,-4.38,;3.22,-3.29,;5.84,-4.38,;6.61,-3.05,;6.61,-5.71,;5.84,-7.05,;8.15,-5.71,)| Show InChI InChI=1S/C24H30N8O/c1-5-19(6-2)30-14-18(12-27-30)23-22-7-8-25-32(22)15-21(28-23)17-11-26-31(13-17)20-9-16(10-20)24(33)29(3)4/h7-8,11-16,19-20H,5-6,9-10H2,1-4H3/t16-,20?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc.; Celgene Corporation US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10730880 (2020) BindingDB Entry DOI: 10.7270/Q2CC13R9
					More data for this Ligand-Target Pair