Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 8603   

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
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM406678 (US10336752, Compound 16 | US11040967, Compound 16) Show SMILES Fc1cccc(C#N)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C25H20FN5O2/c26-18-5-3-4-16(13-27)22(18)19-12-20(23-21(30-19)14-28-24(23)32)29-17-8-6-15(7-9-17)25(33)31-10-1-2-11-31/h3-9,12H,1-2,10-11,14H2,(H,28,32)(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.7	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Compounds were serially diluted in DMSO then further diluted in 1x kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				US Patent US10336752 (2019) BindingDB Entry DOI: 10.7270/Q28054Z6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM332998 (US10196390, Compound I-287 | US10336752, Compound ...) Show SMILES Fc1cccc(C#N)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C25H20FN5O3/c26-18-3-1-2-16(13-27)22(18)19-12-20(23-21(30-19)14-28-24(23)32)29-17-6-4-15(5-7-17)25(33)31-8-10-34-11-9-31/h1-7,12H,8-11,14H2,(H,28,32)(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24.2	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Compounds were serially diluted in DMSO then further diluted in 1x kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				US Patent US10336752 (2019) BindingDB Entry DOI: 10.7270/Q28054Z6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM332882 (US10196390, Compound I-171 | US10336752, Compound ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cn2)N2CCOCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C22H19F2N5O2/c23-14-2-1-3-15(24)20(14)16-10-17(21-18(27-16)12-26-22(21)30)28-19-5-4-13(11-25-19)29-6-8-31-9-7-29/h1-5,10-11H,6-9,12H2,(H,26,30)(H,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Compounds were serially diluted in DMSO then further diluted in 1x kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				US Patent US10336752 (2019) BindingDB Entry DOI: 10.7270/Q28054Z6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	56.9	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Compounds were serially diluted in DMSO then further diluted in 1x kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				US Patent US10336752 (2019) BindingDB Entry DOI: 10.7270/Q28054Z6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	72.6	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Compounds were serially diluted in DMSO then further diluted in 1x kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				US Patent US10336752 (2019) BindingDB Entry DOI: 10.7270/Q28054Z6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM406676 (US10336752, Compound 15 | US11040967, Compound 15) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C23H18F2N4O2/c24-15-3-1-4-16(25)20(15)17-11-18(21-19(28-17)12-26-22(21)30)27-14-7-5-13(6-8-14)23(31)29-9-2-10-29/h1,3-8,11H,2,9-10,12H2,(H,26,30)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	74.1	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Compounds were serially diluted in DMSO then further diluted in 1x kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				US Patent US10336752 (2019) BindingDB Entry DOI: 10.7270/Q28054Z6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	78.5	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Compounds were serially diluted in DMSO then further diluted in 1x kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				US Patent US10336752 (2019) BindingDB Entry DOI: 10.7270/Q28054Z6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	85.3	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Compounds were serially diluted in DMSO then further diluted in 1x kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				US Patent US10336752 (2019) BindingDB Entry DOI: 10.7270/Q28054Z6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM406679 (US10336752, Compound 17 | US10968236, Compound I-6...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2C[C@@H]3COC[C@@H]3C2)c2C(=O)NCc2n1 |r| Show InChI InChI=1S/C26H22F2N4O3/c27-18-2-1-3-19(28)23(18)20-8-21(24-22(31-20)9-29-25(24)33)30-17-6-4-14(5-7-17)26(34)32-10-15-12-35-13-16(15)11-32/h1-8,15-16H,9-13H2,(H,29,33)(H,30,31)/t15-,16+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	88.6	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Compounds were serially diluted in DMSO then further diluted in 1x kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				US Patent US10336752 (2019) BindingDB Entry DOI: 10.7270/Q28054Z6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM332968 (US10196390, Compound I-257 | US10336752, Compound ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C25H22F2N4O2/c26-17-5-4-6-18(27)22(17)19-13-20(23-21(30-19)14-28-24(23)32)29-16-9-7-15(8-10-16)25(33)31-11-2-1-3-12-31/h4-10,13H,1-3,11-12,14H2,(H,28,32)(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Compounds were serially diluted in DMSO then further diluted in 1x kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				US Patent US10336752 (2019) BindingDB Entry DOI: 10.7270/Q28054Z6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM406663 (US10336752, Compound 1 | US10336752, Compound 2 | ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12H,1-2,10-11,13H2,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	93.2	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Compounds were serially diluted in DMSO then further diluted in 1x kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				US Patent US10336752 (2019) BindingDB Entry DOI: 10.7270/Q28054Z6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM332970 (US10196390, Compound I-259 | US10336752, Compound ...) Show SMILES CCN(CC)C(=O)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1 Show InChI InChI=1S/C24H22F2N4O2/c1-3-30(4-2)24(32)14-8-10-15(11-9-14)28-19-12-18(21-16(25)6-5-7-17(21)26)29-20-13-27-23(31)22(19)20/h5-12H,3-4,13H2,1-2H3,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Compounds were serially diluted in DMSO then further diluted in 1x kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				US Patent US10336752 (2019) BindingDB Entry DOI: 10.7270/Q28054Z6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM332942 (US10196390, Compound I-231 | US10336752, Compound ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C24H20F2N4O3/c25-16-2-1-3-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-6-4-14(5-7-15)24(32)30-8-10-33-11-9-30/h1-7,12H,8-11,13H2,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Compounds were serially diluted in DMSO then further diluted in 1x kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				US Patent US10336752 (2019) BindingDB Entry DOI: 10.7270/Q28054Z6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM332986 (US10196390, Compound I-275 | US10336752, Compound ...) Show SMILES CC1(O)CCN(CC1)C(=O)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1 Show InChI InChI=1S/C26H24F2N4O3/c1-26(35)9-11-32(12-10-26)25(34)15-5-7-16(8-6-15)30-20-13-19(22-17(27)3-2-4-18(22)28)31-21-14-29-24(33)23(20)21/h2-8,13,35H,9-12,14H2,1H3,(H,29,33)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Compounds were serially diluted in DMSO then further diluted in 1x kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				US Patent US10336752 (2019) BindingDB Entry DOI: 10.7270/Q28054Z6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM332916 (US10196390, Compound I-205 | US10336752, Compound ...) Show SMILES Fc1cccc(F)c1-c1cc(Nc2ccc(cn2)N2CCCC2)c2C(=O)NCc2n1 Show InChI InChI=1S/C22H19F2N5O/c23-14-4-3-5-15(24)20(14)16-10-17(21-18(27-16)12-26-22(21)30)28-19-7-6-13(11-25-19)29-8-1-2-9-29/h3-7,10-11H,1-2,8-9,12H2,(H,26,30)(H,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Compounds were serially diluted in DMSO then further diluted in 1x kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				US Patent US10336752 (2019) BindingDB Entry DOI: 10.7270/Q28054Z6
					More data for this Ligand-Target Pair