Compile Data Set for Download or QSAR

Found 9 hits of ec50 for UniProtKB: P23458   

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 JAK1 [850-1154] (Homo sapiens (Human))	BDBM50434787 (CHEMBL2386635 | US10487083, Example C | US10703751...) Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:18.21,wD:15.17,1.1,(49.07,-5.95,;48.31,-7.29,;46.77,-7.3,;49.09,-8.62,;48.48,-10.02,;49.62,-11.04,;49.62,-12.58,;50.95,-13.35,;52.28,-12.58,;53.75,-13.05,;54.65,-11.81,;53.75,-10.56,;52.28,-11.04,;50.94,-10.26,;50.61,-8.77,;51.68,-7.66,;53.17,-8.05,;54.24,-6.95,;53.83,-5.47,;54.9,-4.37,;56.39,-4.75,;57.88,-5.12,;52.34,-5.09,;51.26,-6.19,)| Show InChI InChI=1S/C18H21N5O/c1-11(24)18-22-15-10-21-17-14(7-9-20-17)16(15)23(18)13-4-2-12(3-5-13)6-8-19/h7,9-13,24H,2-6H2,1H3,(H,20,21)/t11-,12-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	n/a	n/a	0.340	n/a	n/a	n/a	n/a
Leo Pharma A/S US Patent					Assay Description Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin kinase (TYK) 2 were purchased from Carna Biosciences, Inc (#08-144, -045, -046, -1...				US Patent US10703751 (2020) BindingDB Entry DOI: 10.7270/Q2DN4832
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 [850-1154] (Homo sapiens (Human))	BDBM449878 (US10703751, Example 4 | trans-2-[4-[2-[(1R)-1-Hydr...) Show SMILES CNc1cc2n([C@H]3CC[C@H](CC#N)CC3)c(nc2cn1)[C@@H](C)O |r,wU:6.5,20.24,wD:9.9,(-2.58,-3.7,;-1.24,-4.47,;.09,-3.7,;.09,-2.16,;1.42,-1.39,;1.74,.12,;.66,1.2,;-.83,.81,;-1.92,1.89,;-1.52,3.38,;-2.61,4.47,;-4.1,4.07,;-5.59,3.67,;-.03,3.78,;1.05,2.69,;3.28,.28,;3.9,-1.13,;2.76,-2.16,;2.76,-3.7,;1.42,-4.47,;4.05,1.61,;3.28,2.94,;5.59,1.61,)| Show InChI InChI=1S/C17H23N5O/c1-11(23)17-21-14-10-20-16(19-2)9-15(14)22(17)13-5-3-12(4-6-13)7-8-18/h9-13,23H,3-7H2,1-2H3,(H,19,20)/t11-,12-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.46	n/a	n/a	n/a	n/a
Leo Pharma A/S US Patent					Assay Description Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin kinase (TYK) 2 were purchased from Carna Biosciences, Inc (#08-144, -045, -046, -1...				US Patent US10703751 (2020) BindingDB Entry DOI: 10.7270/Q2DN4832
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [850-1154] (Homo sapiens (Human))	BDBM449876 (US10703751, Example 2 | US10703751, Example 3 | tr...) Show SMILES CNc1cc2n([C@H]3CC[C@H](CC#N)CC3)c(nc2cn1)[C@@H](C)O |r,wU:6.5,20.24,wD:9.9,(1.71,-18.63,;3.03,-19.4,;4.36,-18.63,;4.36,-17.09,;5.69,-16.32,;6.01,-14.81,;4.98,-13.67,;3.48,-13.99,;2.45,-12.84,;2.92,-11.38,;1.89,-10.23,;.38,-10.55,;-1.12,-10.87,;4.43,-11.06,;5.46,-12.2,;7.54,-14.65,;8.17,-16.06,;7.03,-17.09,;7.03,-18.63,;5.69,-19.4,;8.31,-13.32,;7.54,-11.98,;9.85,-13.32,)| Show InChI InChI=1S/C17H23N5O/c1-11(23)17-21-14-10-20-16(19-2)9-15(14)22(17)13-5-3-12(4-6-13)7-8-18/h9-13,23H,3-7H2,1-2H3,(H,19,20)/t11-,12-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.48	n/a	n/a	n/a	n/a
Leo Pharma A/S US Patent					Assay Description Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin kinase (TYK) 2 were purchased from Carna Biosciences, Inc (#08-144, -045, -046, -1...				US Patent US10703751 (2020) BindingDB Entry DOI: 10.7270/Q2DN4832
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [850-1154] (Homo sapiens (Human))	BDBM449883 (US10703751, Example 641 of WO2011086053) Show SMILES C[C@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:1.1,18.21,wD:15.17,(-3.7,2.11,;-4.17,.65,;-5.68,.33,;-3.14,-.5,;-3.46,-2.01,;-2.13,-2.78,;-1.81,-4.28,;-.34,-4.76,;.8,-3.73,;2.33,-3.89,;2.96,-2.48,;1.81,-1.45,;.48,-2.22,;-.99,-1.74,;-1.61,-.34,;-.84,1,;.7,1,;1.47,2.33,;.7,3.66,;1.47,5,;3.01,5,;4.55,5,;-.84,3.66,;-1.61,2.33,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.81	n/a	n/a	n/a	n/a
Leo Pharma A/S US Patent					Assay Description Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin kinase (TYK) 2 were purchased from Carna Biosciences, Inc (#08-144, -045, -046, -1...				US Patent US10703751 (2020) BindingDB Entry DOI: 10.7270/Q2DN4832
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [850-1154] (Homo sapiens (Human))	BDBM449875 (US10703751, Example 1 | US10703751, Example 5 | tr...) Show SMILES CNc1cc2n([C@H]3CC[C@H](CC#N)CC3)c(nc2cn1)C(C)O |r,wU:6.5,wD:9.9,(-2.58,-3.7,;-1.24,-4.47,;.09,-3.7,;.09,-2.16,;1.42,-1.39,;1.74,.12,;.66,1.2,;-.83,.81,;-1.92,1.89,;-1.52,3.38,;-2.61,4.47,;-4.1,4.07,;-5.59,3.67,;-.03,3.78,;1.05,2.69,;3.28,.28,;3.9,-1.13,;2.76,-2.16,;2.76,-3.7,;1.42,-4.47,;4.05,1.61,;3.28,2.94,;5.59,1.61,)| Show InChI InChI=1S/C17H23N5O/c1-11(23)17-21-14-10-20-16(19-2)9-15(14)22(17)13-5-3-12(4-6-13)7-8-18/h9-13,23H,3-7H2,1-2H3,(H,19,20)/t11?,12-,13-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8.41	n/a	n/a	n/a	n/a
Leo Pharma A/S US Patent					Assay Description Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin kinase (TYK) 2 were purchased from Carna Biosciences, Inc (#08-144, -045, -046, -1...				US Patent US10703751 (2020) BindingDB Entry DOI: 10.7270/Q2DN4832
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [850-1154] (Homo sapiens (Human))	BDBM449875 (US10703751, Example 1 | US10703751, Example 5 | tr...) Show SMILES CNc1cc2n([C@H]3CC[C@H](CC#N)CC3)c(nc2cn1)C(C)O |r,wU:6.5,wD:9.9,(-2.58,-3.7,;-1.24,-4.47,;.09,-3.7,;.09,-2.16,;1.42,-1.39,;1.74,.12,;.66,1.2,;-.83,.81,;-1.92,1.89,;-1.52,3.38,;-2.61,4.47,;-4.1,4.07,;-5.59,3.67,;-.03,3.78,;1.05,2.69,;3.28,.28,;3.9,-1.13,;2.76,-2.16,;2.76,-3.7,;1.42,-4.47,;4.05,1.61,;3.28,2.94,;5.59,1.61,)| Show InChI InChI=1S/C17H23N5O/c1-11(23)17-21-14-10-20-16(19-2)9-15(14)22(17)13-5-3-12(4-6-13)7-8-18/h9-13,23H,3-7H2,1-2H3,(H,19,20)/t11?,12-,13-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	10.8	n/a	n/a	n/a	n/a
Leo Pharma A/S US Patent					Assay Description Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin kinase (TYK) 2 were purchased from Carna Biosciences, Inc (#08-144, -045, -046, -1...				US Patent US10703751 (2020) BindingDB Entry DOI: 10.7270/Q2DN4832
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [850-1154] (Homo sapiens (Human))	BDBM449876 (US10703751, Example 2 | US10703751, Example 3 | tr...) Show SMILES CNc1cc2n([C@H]3CC[C@H](CC#N)CC3)c(nc2cn1)[C@@H](C)O |r,wU:6.5,20.24,wD:9.9,(1.71,-18.63,;3.03,-19.4,;4.36,-18.63,;4.36,-17.09,;5.69,-16.32,;6.01,-14.81,;4.98,-13.67,;3.48,-13.99,;2.45,-12.84,;2.92,-11.38,;1.89,-10.23,;.38,-10.55,;-1.12,-10.87,;4.43,-11.06,;5.46,-12.2,;7.54,-14.65,;8.17,-16.06,;7.03,-17.09,;7.03,-18.63,;5.69,-19.4,;8.31,-13.32,;7.54,-11.98,;9.85,-13.32,)| Show InChI InChI=1S/C17H23N5O/c1-11(23)17-21-14-10-20-16(19-2)9-15(14)22(17)13-5-3-12(4-6-13)7-8-18/h9-13,23H,3-7H2,1-2H3,(H,19,20)/t11-,12-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	44.4	n/a	n/a	n/a	n/a
Leo Pharma A/S US Patent					Assay Description Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin kinase (TYK) 2 were purchased from Carna Biosciences, Inc (#08-144, -045, -046, -1...				US Patent US10703751 (2020) BindingDB Entry DOI: 10.7270/Q2DN4832
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [850-1154] (Homo sapiens (Human))	BDBM449881 (US10703751, Example 7 | cis-2-[4-[2-[(1R)-1-Hydrox...) Show SMILES CNc1cc2n([C@@H]3CC[C@H](CC#N)CC3)c(nc2cn1)[C@@H](C)O |r,wU:20.24,6.5,9.9,(-2.67,-3.81,;-1.34,-4.58,;-.01,-3.81,;-.01,-2.27,;1.33,-1.5,;1.65,0,;.62,1.15,;1.09,2.61,;.06,3.76,;-1.44,3.44,;-2.48,4.58,;-3.98,4.26,;-5.49,3.94,;-1.92,1.97,;-.89,.83,;3.18,.17,;3.8,-1.24,;2.66,-2.27,;2.66,-3.81,;1.33,-4.58,;3.95,1.5,;3.18,2.83,;5.49,1.5,)| Show InChI InChI=1S/C17H23N5O/c1-11(23)17-21-14-10-20-16(19-2)9-15(14)22(17)13-5-3-12(4-6-13)7-8-18/h9-13,23H,3-7H2,1-2H3,(H,19,20)/t11-,12-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	129	n/a	n/a	n/a	n/a
Leo Pharma A/S US Patent					Assay Description Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin kinase (TYK) 2 were purchased from Carna Biosciences, Inc (#08-144, -045, -046, -1...				US Patent US10703751 (2020) BindingDB Entry DOI: 10.7270/Q2DN4832
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [850-1154] (Homo sapiens (Human))	BDBM449880 (US10703751, Example 6 | cis-2-[4-[2-[1-Hydroxyethy...) Show SMILES CNc1cc2n([C@@H]3CC[C@H](CC#N)CC3)c(nc2cn1)C(C)O |r,wU:6.5,9.9,(-2.58,-3.7,;-1.24,-4.47,;.09,-3.7,;.09,-2.16,;1.42,-1.39,;1.74,.12,;.66,1.2,;1.05,2.69,;-.03,3.78,;-1.52,3.38,;-2.61,4.47,;-4.1,4.07,;-5.59,3.67,;-1.92,1.89,;-.83,.81,;3.28,.28,;3.9,-1.13,;2.76,-2.16,;2.76,-3.7,;1.42,-4.47,;4.05,1.61,;3.28,2.94,;5.59,1.61,)| Show InChI InChI=1S/C17H23N5O/c1-11(23)17-21-14-10-20-16(19-2)9-15(14)22(17)13-5-3-12(4-6-13)7-8-18/h9-13,23H,3-7H2,1-2H3,(H,19,20)/t11?,12-,13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	508	n/a	n/a	n/a	n/a
Leo Pharma A/S US Patent					Assay Description Human baculovirus-expressed Janus kinase (JAK) 1, 2, 3 and tyrosin kinase (TYK) 2 were purchased from Carna Biosciences, Inc (#08-144, -045, -046, -1...				US Patent US10703751 (2020) BindingDB Entry DOI: 10.7270/Q2DN4832
					More data for this Ligand-Target Pair