Compile Data Set for Download or QSAR

Found 125 hits with Last Name = 'moon' and Initial = 'hs'   

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
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82310 (Purine, 5) Show SMILES FC(F)(F)c1cccc(CNc2nc(NCc3ccc(cc3)N(=O)=O)c3[nH]cnc3n2)c1 Show InChI InChI=1S/C20H16F3N7O2/c21-20(22,23)14-3-1-2-13(8-14)10-25-19-28-17(16-18(29-19)27-11-26-16)24-9-12-4-6-15(7-5-12)30(31)32/h1-8,11H,9-10H2,(H3,24,25,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	4.30E+3	-31.9	1.02E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286099 (N-(5-(ethylsulfonyl)-5-azaspiro[2.4]heptan-7-yl)-N...) Show SMILES CCS(=O)(=O)N1CC(N(C)c2ncnc3[nH]ccc23)C2(CC2)C1 Show InChI InChI=1S/C15H21N5O2S/c1-3-23(21,22)20-8-12(15(9-20)5-6-15)19(2)14-11-4-7-16-13(11)17-10-18-14/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286098 ((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...) Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H20N6O2S/c1-25(19-16-5-8-22-18(16)23-13-24-19)17-11-26(12-20(17)6-7-20)29(27,28)15-4-2-3-14(9-15)10-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3,(H,22,23,24)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286095 ((R)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50458119 (Leusa) Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H25N7O7S/c1-7(2)3-8(17)15(26)22-31(27,28)29-4-9-11(24)12(25)16(30-9)23-6-21-10-13(18)19-5-20-14(10)23/h5-9,11-12,16,24-25H,3-4,17H2,1-2H3,(H,22,26)(H2,18,19,20)/t8-,9+,11+,12+,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of catalytic activity of LRS (unknown origin) by aminoleucylation assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2QR51RW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM286098 ((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...) Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H20N6O2S/c1-25(19-16-5-8-22-18(16)23-13-24-19)17-11-26(12-20(17)6-7-20)29(27,28)15-4-2-3-14(9-15)10-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3,(H,22,23,24)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24.7	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286096 (3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino...) Show SMILES CN(C1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29.3	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM286096 (3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino...) Show SMILES CN(C1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40.4	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286098 ((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...) Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H20N6O2S/c1-25(19-16-5-8-22-18(16)23-13-24-19)17-11-26(12-20(17)6-7-20)29(27,28)15-4-2-3-14(9-15)10-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3,(H,22,23,24)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	58.6	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50550346 (CHEMBL4558130) Show SMILES CC(C)[C@@H](O)[C@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of catalytic activity of LRS (unknown origin) by aminoleucylation assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2QR51RW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM286098 ((R)-3-((7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)...) Show SMILES CN([C@H]1CN(CC11CC1)S(=O)(=O)c1cccc(c1)C#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H20N6O2S/c1-25(19-16-5-8-22-18(16)23-13-24-19)17-11-26(12-20(17)6-7-20)29(27,28)15-4-2-3-14(9-15)10-21/h2-5,8-9,13,17H,6-7,11-12H2,1H3,(H,22,23,24)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286096 (3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino...) Show SMILES CN(C1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM286099 (N-(5-(ethylsulfonyl)-5-azaspiro[2.4]heptan-7-yl)-N...) Show SMILES CCS(=O)(=O)N1CC(N(C)c2ncnc3[nH]ccc23)C2(CC2)C1 Show InChI InChI=1S/C15H21N5O2S/c1-3-23(21,22)20-8-12(15(9-20)5-6-15)19(2)14-11-4-7-16-13(11)17-10-18-14/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,16,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	198	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM286095 ((R)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	252	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic (Homo sapiens (Human))	BDBM50550345 (CHEMBL4104169) Show SMILES CC(C)C[C@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(I)nc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	337	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of catalytic activity of LRS (unknown origin) by aminoleucylation assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2QR51RW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286095 ((R)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	412	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286099 (N-(5-(ethylsulfonyl)-5-azaspiro[2.4]heptan-7-yl)-N...) Show SMILES CCS(=O)(=O)N1CC(N(C)c2ncnc3[nH]ccc23)C2(CC2)C1 Show InChI InChI=1S/C15H21N5O2S/c1-3-23(21,22)20-8-12(15(9-20)5-6-15)19(2)14-11-4-7-16-13(11)17-10-18-14/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	422	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM286096 (3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino...) Show SMILES CN(C1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	694	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286097 ((S)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	787	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM286097 ((S)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM286099 (N-(5-(ethylsulfonyl)-5-azaspiro[2.4]heptan-7-yl)-N...) Show SMILES CCS(=O)(=O)N1CC(N(C)c2ncnc3[nH]ccc23)C2(CC2)C1 Show InChI InChI=1S/C15H21N5O2S/c1-3-23(21,22)20-8-12(15(9-20)5-6-15)19(2)14-11-4-7-16-13(11)17-10-18-14/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM286097 ((S)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM286097 ((S)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM286095 ((R)-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)a...) Show SMILES CN([C@H]1CN(CC11CC1)C(=O)CC#N)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C16H18N6O/c1-21(15-11-3-7-18-14(11)19-10-20-15)12-8-22(13(23)2-6-17)9-16(12)4-5-16/h3,7,10,12H,2,4-5,8-9H2,1H3,(H,18,19,20)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
YANG JI CHEMICAL CO., LTD.; HAN WHA PHARMA CO., LTD. US Patent					Assay Description Kinases used were human-derived JAK1, JAK2, JAK3, and TYK2 (Millipore, Germany). Each of these kinases was diluted with a suitable buffer solution as...				US Patent US10081635 (2018) BindingDB Entry DOI: 10.7270/Q2R213D4
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50473488 (CHEMBL141477) Show SMILES COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3ncn(C4CCCCC4)c3n2)cc1 Show InChI InChI=1S/C27H32N6O2/c1-34-22-12-8-19(9-13-22)16-28-25-24-26(33(18-30-24)21-6-4-3-5-7-21)32-27(31-25)29-17-20-10-14-23(35-2)15-11-20/h8-15,18,21H,3-7,16-17H2,1-2H3,(H2,28,29,31,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
New York University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization using bovine brain tubulin				J Med Chem 44: 4497-500 (2001) Article DOI: 10.1021/jm010451+ BindingDB Entry DOI: 10.7270/Q2XW4NJH
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50473487 (CHEMBL336919) Show SMILES COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3ncn(C4CCC(O)CC4)c3n2)cc1 |(-.37,-14,;-.37,-12.46,;.97,-11.69,;2.29,-12.46,;3.64,-11.69,;3.64,-10.15,;4.95,-9.37,;4.95,-7.83,;6.27,-7.04,;6.27,-5.52,;7.58,-4.73,;7.58,-3.19,;8.9,-2.42,;10.44,-2.42,;11.2,-1.07,;12.74,-1.07,;13.52,-2.41,;15.06,-2.38,;15.83,-3.72,;12.75,-3.73,;11.21,-3.73,;8.93,-5.5,;10.39,-5.02,;11.3,-6.26,;10.41,-7.51,;10.89,-8.96,;12.39,-9.25,;12.88,-10.73,;11.85,-11.88,;12.32,-13.35,;10.34,-11.56,;9.86,-10.11,;8.93,-7.04,;7.61,-7.81,;2.29,-9.38,;.97,-10.15,)| Show InChI InChI=1S/C27H32N6O3/c1-35-22-11-3-18(4-12-22)15-28-25-24-26(33(17-30-24)20-7-9-21(34)10-8-20)32-27(31-25)29-16-19-5-13-23(36-2)14-6-19/h3-6,11-14,17,20-21,34H,7-10,15-16H2,1-2H3,(H2,28,29,31,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
New York University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization using bovine brain tubulin				J Med Chem 44: 4497-500 (2001) Article DOI: 10.1021/jm010451+ BindingDB Entry DOI: 10.7270/Q2XW4NJH
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50473496 (CHEMBL136246) Show SMILES COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3ncn(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C26H30N6O2/c1-33-21-11-7-18(8-12-21)15-27-24-23-25(32(17-29-23)20-5-3-4-6-20)31-26(30-24)28-16-19-9-13-22(34-2)14-10-19/h7-14,17,20H,3-6,15-16H2,1-2H3,(H2,27,28,30,31)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
New York University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization using bovine brain tubulin				J Med Chem 44: 4497-500 (2001) Article DOI: 10.1021/jm010451+ BindingDB Entry DOI: 10.7270/Q2XW4NJH
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50473495 (CHEMBL139282) Show SMILES COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3ncn(C4CCNCC4)c3n2)cc1 Show InChI InChI=1S/C26H31N7O2/c1-34-21-7-3-18(4-8-21)15-28-24-23-25(33(17-30-23)20-11-13-27-14-12-20)32-26(31-24)29-16-19-5-9-22(35-2)10-6-19/h3-10,17,20,27H,11-16H2,1-2H3,(H2,28,29,31,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
New York University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization using bovine brain tubulin				J Med Chem 44: 4497-500 (2001) Article DOI: 10.1021/jm010451+ BindingDB Entry DOI: 10.7270/Q2XW4NJH
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50473493 (CHEMBL138292) Show SMILES COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3ncn(C4CCOC4)c3n2)cc1 Show InChI InChI=1S/C25H28N6O3/c1-32-20-7-3-17(4-8-20)13-26-23-22-24(31(16-28-22)19-11-12-34-15-19)30-25(29-23)27-14-18-5-9-21(33-2)10-6-18/h3-10,16,19H,11-15H2,1-2H3,(H2,26,27,29,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
New York University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization using bovine brain tubulin				J Med Chem 44: 4497-500 (2001) Article DOI: 10.1021/jm010451+ BindingDB Entry DOI: 10.7270/Q2XW4NJH
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50473490 (CHEMBL139200) Show SMILES COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3ncn(C4CCC4)c3n2)cc1 Show InChI InChI=1S/C25H28N6O2/c1-32-20-10-6-17(7-11-20)14-26-23-22-24(31(16-28-22)19-4-3-5-19)30-25(29-23)27-15-18-8-12-21(33-2)13-9-18/h6-13,16,19H,3-5,14-15H2,1-2H3,(H2,26,27,29,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
New York University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization using bovine brain tubulin				J Med Chem 44: 4497-500 (2001) Article DOI: 10.1021/jm010451+ BindingDB Entry DOI: 10.7270/Q2XW4NJH
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50473494 (Myoseverin) Show SMILES COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3ncn(C(C)C)c3n2)cc1 Show InChI InChI=1S/C24H28N6O2/c1-16(2)30-15-27-21-22(25-13-17-5-9-19(31-3)10-6-17)28-24(29-23(21)30)26-14-18-7-11-20(32-4)12-8-18/h5-12,15-16H,13-14H2,1-4H3,(H2,25,26,28,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
New York University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization using bovine brain tubulin				J Med Chem 44: 4497-500 (2001) Article DOI: 10.1021/jm010451+ BindingDB Entry DOI: 10.7270/Q2XW4NJH
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82329 (Purine, 24) Show SMILES Clc1ccc(CNc2nc(NCc3ccc(cc3)N(=O)=O)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C19H16ClN7O2/c20-14-5-1-12(2-6-14)10-22-19-25-17(16-18(26-19)24-11-23-16)21-9-13-3-7-15(8-4-13)27(28)29/h1-8,11H,9-10H2,(H3,21,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82307 (Purine, 2) Show SMILES Nc1ccc(CNc2nc(NCc3cccc(c3)C(F)(F)F)nc3nc[nH]c23)cc1 Show InChI InChI=1S/C20H18F3N7/c21-20(22,23)14-3-1-2-13(8-14)10-26-19-29-17(16-18(30-19)28-11-27-16)25-9-12-4-6-15(24)7-5-12/h1-8,11H,9-10,24H2,(H3,25,26,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82308 (Purine, 3) Show SMILES FC(F)(F)c1cccc(CNc2nc(NCc3ccccc3)c3[nH]cnc3n2)c1 Show InChI InChI=1S/C20H17F3N6/c21-20(22,23)15-8-4-7-14(9-15)11-25-19-28-17(16-18(29-19)27-12-26-16)24-10-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H3,24,25,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82322 (Purine, 17) Show SMILES FC(F)(F)c1ccccc1CNc1nc(NCc2ccc(cc2)N(=O)=O)c2[nH]cnc2n1 Show InChI InChI=1S/C20H16F3N7O2/c21-20(22,23)15-4-2-1-3-13(15)10-25-19-28-17(16-18(29-19)27-11-26-16)24-9-12-5-7-14(8-6-12)30(31)32/h1-8,11H,9-10H2,(H3,24,25,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82328 (Purine, 23) Show SMILES Clc1cccc(CNc2nc(NCc3ccc(cc3)N(=O)=O)c3[nH]cnc3n2)c1 Show InChI InChI=1S/C19H16ClN7O2/c20-14-3-1-2-13(8-14)10-22-19-25-17(16-18(26-19)24-11-23-16)21-9-12-4-6-15(7-5-12)27(28)29/h1-8,11H,9-10H2,(H3,21,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82324 (Purine, 19) Show SMILES Fc1ccccc1CNc1nc(NCc2ccc(cc2)N(=O)=O)c2[nH]cnc2n1 Show InChI InChI=1S/C19H16FN7O2/c20-15-4-2-1-3-13(15)10-22-19-25-17(16-18(26-19)24-11-23-16)21-9-12-5-7-14(8-6-12)27(28)29/h1-8,11H,9-10H2,(H3,21,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.34E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50473492 (CHEMBL140654) Show SMILES CCn1cnc2c(NCc3ccc(OC)cc3)nc(NCc3ccc(OC)cc3)nc12 Show InChI InChI=1S/C23H26N6O2/c1-4-29-15-26-20-21(24-13-16-5-9-18(30-2)10-6-16)27-23(28-22(20)29)25-14-17-7-11-19(31-3)12-8-17/h5-12,15H,4,13-14H2,1-3H3,(H2,24,25,27,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
New York University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization using bovine brain tubulin				J Med Chem 44: 4497-500 (2001) Article DOI: 10.1021/jm010451+ BindingDB Entry DOI: 10.7270/Q2XW4NJH
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50473489 (CHEMBL140649) Show SMILES COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3ncn(C)c3n2)cc1 Show InChI InChI=1S/C22H24N6O2/c1-28-14-25-19-20(23-12-15-4-8-17(29-2)9-5-15)26-22(27-21(19)28)24-13-16-6-10-18(30-3)11-7-16/h4-11,14H,12-13H2,1-3H3,(H2,23,24,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
New York University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization using bovine brain tubulin				J Med Chem 44: 4497-500 (2001) Article DOI: 10.1021/jm010451+ BindingDB Entry DOI: 10.7270/Q2XW4NJH
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82327 (Purine, 22) Show SMILES Clc1ccccc1CNc1nc(NCc2ccc(cc2)N(=O)=O)c2[nH]cnc2n1 Show InChI InChI=1S/C19H16ClN7O2/c20-15-4-2-1-3-13(15)10-22-19-25-17(16-18(26-19)24-11-23-16)21-9-12-5-7-14(8-6-12)27(28)29/h1-8,11H,9-10H2,(H3,21,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82326 (Purine, 21) Show SMILES Fc1ccc(CNc2nc(NCc3ccc(cc3)N(=O)=O)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C19H16FN7O2/c20-14-5-1-12(2-6-14)10-22-19-25-17(16-18(26-19)24-11-23-16)21-9-13-3-7-15(8-4-13)27(28)29/h1-8,11H,9-10H2,(H3,21,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.88E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82309 (Purine, 4) Show SMILES FC(F)(F)c1cccc(CNc2nc(NCc3ccccc3)c3ncn(C4CCCCO4)c3n2)c1 Show InChI InChI=1S/C25H25F3N6O/c26-25(27,28)19-10-6-9-18(13-19)15-30-24-32-22(29-14-17-7-2-1-3-8-17)21-23(33-24)34(16-31-21)20-11-4-5-12-35-20/h1-3,6-10,13,16,20H,4-5,11-12,14-15H2,(H2,29,30,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.34E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82325 (Purine, 20) Show SMILES Fc1cccc(CNc2nc(NCc3ccc(cc3)N(=O)=O)c3[nH]cnc3n2)c1 Show InChI InChI=1S/C19H16FN7O2/c20-14-3-1-2-13(8-14)10-22-19-25-17(16-18(26-19)24-11-23-16)21-9-12-4-6-15(7-5-12)27(28)29/h1-8,11H,9-10H2,(H3,21,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50473491 (CHEMBL343349) Show SMILES COc1ccc(CNc2nc(NCc3ccc(OC)cc3)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C21H22N6O2/c1-28-16-7-3-14(4-8-16)11-22-19-18-20(25-13-24-18)27-21(26-19)23-12-15-5-9-17(29-2)10-6-15/h3-10,13H,11-12H2,1-2H3,(H3,22,23,24,25,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
New York University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization using bovine brain tubulin				J Med Chem 44: 4497-500 (2001) Article DOI: 10.1021/jm010451+ BindingDB Entry DOI: 10.7270/Q2XW4NJH
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82306 (Purine, 1) Show SMILES Cn1cnc2c(NCc3ccc(N)cc3)nc(NCc3cccc(c3)C(F)(F)F)nc12 Show InChI InChI=1S/C21H20F3N7/c1-31-12-28-17-18(26-10-13-5-7-16(25)8-6-13)29-20(30-19(17)31)27-11-14-3-2-4-15(9-14)21(22,23)24/h2-9,12H,10-11,25H2,1H3,(H2,26,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.71E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82318 (Purine, 13) Show SMILES C(Nc1nc(NCc2ccc3ccccc3c2)nc2nc[nH]c12)c1ccccc1 Show InChI InChI=1S/C23H20N6/c1-2-6-16(7-3-1)13-24-21-20-22(27-15-26-20)29-23(28-21)25-14-17-10-11-18-8-4-5-9-19(18)12-17/h1-12,15H,13-14H2,(H3,24,25,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82323 (Purine, 18) Show SMILES FC(F)(F)c1ccc(CNc2nc(NCc3ccc(cc3)N(=O)=O)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C20H16F3N7O2/c21-20(22,23)14-5-1-12(2-6-14)10-25-19-28-17(16-18(29-19)27-11-26-16)24-9-13-3-7-15(8-4-13)30(31)32/h1-8,11H,9-10H2,(H3,24,25,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.76E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82313 (Purine, 8) Show SMILES FC(F)(F)c1ccc(CNc2nc(NCc3ccc(cc3)C(F)(F)F)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C21H16F6N6/c22-20(23,24)14-5-1-12(2-6-14)9-28-17-16-18(31-11-30-16)33-19(32-17)29-10-13-3-7-15(8-4-13)21(25,26)27/h1-8,11H,9-10H2,(H3,28,29,30,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+5	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82320 (Purine, 15) Show SMILES CC(Nc1nc(NCc2ccccc2)c2[nH]cnc2n1)c1ccccc1 Show InChI InChI=1S/C20H20N6/c1-14(16-10-6-3-7-11-16)24-20-25-18(17-19(26-20)23-13-22-17)21-12-15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3,(H3,21,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+5	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair
Inositol-trisphosphate 3-kinase A (Homo sapiens (Human))	BDBM82312 (Purine, 7) Show SMILES Clc1ccc(CNc2nc(NCc3ccccc3)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C19H17ClN6/c20-15-8-6-14(7-9-15)11-22-19-25-17(16-18(26-19)24-12-23-16)21-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H3,21,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.38E+5	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair

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