Compile Data Set for Download or QSAR

Found 488 hits with Last Name = 'william' and Initial = 'ad'   

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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50400316 (CHEMBL2181087) Show SMILES COc1cc2Nc3nccc(n3)-c3cccc(COCC=CCOCc(c2)c1OCCN1CCCC1)c3 |w:20.20| Show InChI InChI=1S/C29H34N4O4/c1-34-27-19-25-18-24(28(27)37-16-13-33-11-2-3-12-33)21-36-15-5-4-14-35-20-22-7-6-8-23(17-22)26-9-10-30-29(31-25)32-26/h4-10,17-19H,2-3,11-16,20-21H2,1H3,(H,30,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant FLT3 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay				J Med Chem 54: 4638-58 (2011) Article DOI: 10.1021/jm200326p BindingDB Entry DOI: 10.7270/Q2J1049M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50400305 (CHEMBL2181088) Show SMILES Cc1cnc2Nc3ccc(OCCN4CCCC4)c(COCC=CCOCc4cccc(c4)-c1n2)c3 |w:23.24| Show InChI InChI=1S/C29H34N4O3/c1-22-19-30-29-31-26-9-10-27(36-16-13-33-11-2-3-12-33)25(18-26)21-35-15-5-4-14-34-20-23-7-6-8-24(17-23)28(22)32-29/h4-10,17-19H,2-3,11-16,20-21H2,1H3,(H,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant JAK2 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay				J Med Chem 54: 4638-58 (2011) Article DOI: 10.1021/jm200326p BindingDB Entry DOI: 10.7270/Q2J1049M
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50363198 (CHEMBL1946006) Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cc(N)cc(C1)c3)n2 |t:3| Show InChI InChI=1S/C23H25N5O/c1-28-10-3-2-4-11-29-21-7-5-6-18(14-21)22-8-9-25-23(27-22)26-20-13-17(16-28)12-19(24)15-20/h2-3,5-9,12-15H,4,10-11,16,24H2,1H3,(H,25,26,27)/b3-2+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cdk2/cyclin A using RbING as substrate after 2 hrs by luminescence assay				J Med Chem 55: 169-96 (2012) Checked by Author Article DOI: 10.1021/jm201112g BindingDB Entry DOI: 10.7270/Q2M61KPN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50384877 (CHEMBL2035183) Show SMILES C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\COCc1c2)s3 |t:28| Show InChI InChI=1S/C26H30N4O3S/c1-2-12-30(11-1)13-16-33-24-7-5-21-17-20(24)18-31-14-3-4-15-32-19-22-6-8-25(34-22)23-9-10-27-26(28-21)29-23/h3-10,17H,1-2,11-16,18-19H2,(H,27,28,29)/b4-3+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant JAK2 using poly(Glu,Ala,Tyr) as substrate after 2 hrs by luminometric assay				J Med Chem 55: 2623-40 (2012) Article DOI: 10.1021/jm201454n BindingDB Entry DOI: 10.7270/Q2CC11RG
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50384868 (CHEMBL2035049) Show SMILES C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccc4ccn(C\C=C\COCc1c2)c4c3 |t:29| Show InChI InChI=1S/C29H31N5O2/c1-2-13-33(12-1)16-18-36-28-8-7-25-19-24(28)21-35-17-4-3-14-34-15-10-22-5-6-23(20-27(22)34)26-9-11-30-29(31-25)32-26/h3-11,15,19-20H,1-2,12-14,16-18,21H2,(H,30,31,32)/b4-3+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant FLT3 using poly(Glu,Tyr) as substrate after 2 hrs by luminometric assay				J Med Chem 55: 2623-40 (2012) Article DOI: 10.1021/jm201454n BindingDB Entry DOI: 10.7270/Q2CC11RG
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50400315 (CHEMBL2181312) Show SMILES Fc1cc2COCC=CCOCc3cc(Nc4nccc(n4)-c(c1)c2)ccc3OCCN1CCCC1 |w:7.6| Show InChI InChI=1S/C28H31FN4O3/c29-24-16-21-15-22(17-24)26-7-8-30-28(32-26)31-25-5-6-27(36-14-11-33-9-1-2-10-33)23(18-25)20-35-13-4-3-12-34-19-21/h3-8,15-18H,1-2,9-14,19-20H2,(H,30,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant FLT3 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay				J Med Chem 54: 4638-58 (2011) Article DOI: 10.1021/jm200326p BindingDB Entry DOI: 10.7270/Q2J1049M
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50363199 (CHEMBL1946150) Show SMILES CCS(=O)(=O)CNc1cc2CN(C)C\C=C\CCOc3cccc(c3)-c3ccnc(Nc(c2)c1)n3 |t:14| Show InChI InChI=1S/C26H31N5O3S/c1-3-35(32,33)19-28-22-14-20-15-23(17-22)29-26-27-11-10-25(30-26)21-8-7-9-24(16-21)34-13-6-4-5-12-31(2)18-20/h4-5,7-11,14-17,28H,3,6,12-13,18-19H2,1-2H3,(H,27,29,30)/b5-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cdk2/cyclin A using RbING as substrate after 2 hrs by luminescence assay				J Med Chem 55: 169-96 (2012) Checked by Author Article DOI: 10.1021/jm201112g BindingDB Entry DOI: 10.7270/Q2M61KPN
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50363197 (CHEMBL1946005) Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cc(C1)cc(NC(=O)C(F)(F)F)c3)n2 |t:3| Show InChI InChI=1S/C25H24F3N5O2/c1-33-10-3-2-4-11-35-21-7-5-6-18(14-21)22-8-9-29-24(32-22)31-20-13-17(16-33)12-19(15-20)30-23(34)25(26,27)28/h2-3,5-9,12-15H,4,10-11,16H2,1H3,(H,30,34)(H,29,31,32)/b3-2+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cdk2/cyclin A using RbING as substrate after 2 hrs by luminescence assay				J Med Chem 55: 169-96 (2012) Checked by Author Article DOI: 10.1021/jm201112g BindingDB Entry DOI: 10.7270/Q2M61KPN
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50363202 (CHEMBL1946442) Show SMILES CN1C\C=C\CCOc2cc(F)cc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3| Show InChI InChI=1S/C23H23FN4O/c1-28-10-3-2-4-11-29-21-14-18(13-19(24)15-21)22-8-9-25-23(27-22)26-20-7-5-6-17(12-20)16-28/h2-3,5-9,12-15H,4,10-11,16H2,1H3,(H,25,26,27)/b3-2+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cdk2/cyclin A using RbING as substrate after 2 hrs by luminescence assay				J Med Chem 55: 169-96 (2012) Checked by Author Article DOI: 10.1021/jm201112g BindingDB Entry DOI: 10.7270/Q2M61KPN
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50384874 (CHEMBL2035055) Show SMILES CN1C\C=C\COCc2ccc(s2)-c2ccnc(Nc3ccc(OCCN4CCCC4)c(C1)c3)n2 |t:3| Show InChI InChI=1S/C27H33N5O2S/c1-31-12-4-5-16-33-20-23-7-9-26(35-23)24-10-11-28-27(30-24)29-22-6-8-25(21(18-22)19-31)34-17-15-32-13-2-3-14-32/h4-11,18H,2-3,12-17,19-20H2,1H3,(H,28,29,30)/b5-4+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant FLT3 using poly(Glu,Tyr) as substrate after 2 hrs by luminometric assay				J Med Chem 55: 2623-40 (2012) Article DOI: 10.1021/jm201454n BindingDB Entry DOI: 10.7270/Q2CC11RG
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50400303 (CHEMBL2181311) Show SMILES COc1ccc2COCC=CCOCc3cc(Nc4nccc(n4)-c1c2)ccc3OCCN1CCCC1 |w:9.8| Show InChI InChI=1S/C29H34N4O4/c1-34-28-8-6-22-18-25(28)26-10-11-30-29(32-26)31-24-7-9-27(37-17-14-33-12-2-3-13-33)23(19-24)21-36-16-5-4-15-35-20-22/h4-11,18-19H,2-3,12-17,20-21H2,1H3,(H,30,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant FLT3 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay				J Med Chem 54: 4638-58 (2011) Article DOI: 10.1021/jm200326p BindingDB Entry DOI: 10.7270/Q2J1049M
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50363196 (CHEMBL1944698) Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3| Show InChI InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cdk2/cyclin A using RbING as substrate after 2 hrs by luminescence assay				J Med Chem 55: 169-96 (2012) Checked by Author Article DOI: 10.1021/jm201112g BindingDB Entry DOI: 10.7270/Q2M61KPN
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50315839 (4-methyl-N-(3-(2-(6-methyl-5-(2-(thiophen-2-yl)ace...) Show SMILES CN1CCN(CC1)C(=O)Nc1cccc(\C=C\c2n[nH]c3cc(C)c(NC(=O)Cc4cccs4)cc23)c1 Show InChI InChI=1S/C28H30N6O2S/c1-19-15-26-23(18-25(19)30-27(35)17-22-7-4-14-37-22)24(31-32-26)9-8-20-5-3-6-21(16-20)29-28(36)34-12-10-33(2)11-13-34/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,29,36)(H,30,35)(H,31,32)/b9-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd Curated by ChEMBL					Assay Description Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence				Bioorg Med Chem Lett 20: 2443-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.018 BindingDB Entry DOI: 10.7270/Q24B31HK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50384872 (CHEMBL2035053) Show SMILES Cc1cnc2Nc3ccc(OCCN4CCCC4)c(COC\C=C\CCOc4cc(ccn4)-c1n2)c3 |t:23| Show InChI InChI=1S/C28H33N5O3/c1-21-19-30-28-31-24-7-8-25(35-16-13-33-11-3-4-12-33)23(17-24)20-34-14-5-2-6-15-36-26-18-22(9-10-29-26)27(21)32-28/h2,5,7-10,17-19H,3-4,6,11-16,20H2,1H3,(H,30,31,32)/b5-2+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant JAK2 using poly(Glu,Ala,Tyr) as substrate after 2 hrs by luminometric assay				J Med Chem 55: 2623-40 (2012) Article DOI: 10.1021/jm201454n BindingDB Entry DOI: 10.7270/Q2CC11RG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50400311 (CHEMBL2181331) Show SMILES C(CN1CCCCC1)Oc1ccc2Nc3nccc(n3)-c3cccc(COCC=CCOCc1c2)c3 |w:28.29| Show InChI InChI=1S/C29H34N4O3/c1-2-13-33(14-3-1)15-18-36-28-10-9-26-20-25(28)22-35-17-5-4-16-34-21-23-7-6-8-24(19-23)27-11-12-30-29(31-26)32-27/h4-12,19-20H,1-3,13-18,21-22H2,(H,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant JAK2 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay				J Med Chem 54: 4638-58 (2011) Article DOI: 10.1021/jm200326p BindingDB Entry DOI: 10.7270/Q2J1049M
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50400304 (CHEMBL2181310) Show SMILES Fc1cnc2Nc3ccc(OCCN4CCCC4)c(COCC=CCOCc4cccc(c4)-c1n2)c3 |w:23.24| Show InChI InChI=1S/C28H31FN4O3/c29-25-18-30-28-31-24-8-9-26(36-15-12-33-10-1-2-11-33)23(17-24)20-35-14-4-3-13-34-19-21-6-5-7-22(16-21)27(25)32-28/h3-9,16-18H,1-2,10-15,19-20H2,(H,30,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant FLT3 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay				J Med Chem 54: 4638-58 (2011) Article DOI: 10.1021/jm200326p BindingDB Entry DOI: 10.7270/Q2J1049M
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50384869 (CHEMBL2035050) Show SMILES Cc1cnc2Nc3ccc(OCCN4CCCC4)c(COC\C=C\Cn4ccc5ccc(cc45)-c1n2)c3 |t:23| Show InChI InChI=1S/C30H33N5O2/c1-22-20-31-30-32-26-8-9-28(37-17-15-34-11-2-3-12-34)25(18-26)21-36-16-5-4-13-35-14-10-23-6-7-24(19-27(23)35)29(22)33-30/h4-10,14,18-20H,2-3,11-13,15-17,21H2,1H3,(H,31,32,33)/b5-4+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant FLT3 using poly(Glu,Tyr) as substrate after 2 hrs by luminometric assay				J Med Chem 55: 2623-40 (2012) Article DOI: 10.1021/jm201454n BindingDB Entry DOI: 10.7270/Q2CC11RG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50315848 (CHEMBL1090568 | N-(6-methyl-3-styryl-1H-indazol-5-...) Show SMILES Cc1cc2[nH]nc(\C=C\c3ccccc3)c2cc1NC(=O)Cc1cccs1 Show InChI InChI=1S/C22H19N3OS/c1-15-12-21-18(14-20(15)23-22(26)13-17-8-5-11-27-17)19(24-25-21)10-9-16-6-3-2-4-7-16/h2-12,14H,13H2,1H3,(H,23,26)(H,24,25)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd Curated by ChEMBL					Assay Description Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence				Bioorg Med Chem Lett 20: 2443-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.018 BindingDB Entry DOI: 10.7270/Q24B31HK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50400304 (CHEMBL2181310) Show SMILES Fc1cnc2Nc3ccc(OCCN4CCCC4)c(COCC=CCOCc4cccc(c4)-c1n2)c3 |w:23.24| Show InChI InChI=1S/C28H31FN4O3/c29-25-18-30-28-31-24-8-9-26(36-15-12-33-10-1-2-11-33)23(17-24)20-35-14-4-3-13-34-19-21-6-5-7-22(16-21)27(25)32-28/h3-9,16-18H,1-2,10-15,19-20H2,(H,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant JAK2 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay				J Med Chem 54: 4638-58 (2011) Article DOI: 10.1021/jm200326p BindingDB Entry DOI: 10.7270/Q2J1049M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50384878 (CHEMBL2035184) Show SMILES C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3csc(COC\C=C\COCc1c2)c3 |t:28| Show InChI InChI=1S/C26H30N4O3S/c1-2-10-30(9-1)11-14-33-25-6-5-22-15-20(25)17-31-12-3-4-13-32-18-23-16-21(19-34-23)24-7-8-27-26(28-22)29-24/h3-8,15-16,19H,1-2,9-14,17-18H2,(H,27,28,29)/b4-3+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant JAK2 using poly(Glu,Ala,Tyr) as substrate after 2 hrs by luminometric assay				J Med Chem 55: 2623-40 (2012) Article DOI: 10.1021/jm201454n BindingDB Entry DOI: 10.7270/Q2CC11RG
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50400306 (CHEMBL2181086) Show SMILES CCN(CC)CCC(=O)Nc1cc2COCC=CCOCc3cccc(c3)-c3ccnc(Nc(c2)c1)n3 |w:17.17| Show InChI InChI=1S/C29H35N5O3/c1-3-34(4-2)13-11-28(35)31-25-17-23-18-26(19-25)32-29-30-12-10-27(33-29)24-9-7-8-22(16-24)20-36-14-5-6-15-37-21-23/h5-10,12,16-19H,3-4,11,13-15,20-21H2,1-2H3,(H,31,35)(H,30,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant TYK2				J Med Chem 54: 4638-58 (2011) Article DOI: 10.1021/jm200326p BindingDB Entry DOI: 10.7270/Q2J1049M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50363199 (CHEMBL1946150) Show SMILES CCS(=O)(=O)CNc1cc2CN(C)C\C=C\CCOc3cccc(c3)-c3ccnc(Nc(c2)c1)n3 |t:14| Show InChI InChI=1S/C26H31N5O3S/c1-3-35(32,33)19-28-22-14-20-15-23(17-22)29-26-27-11-10-25(30-26)21-8-7-9-24(16-21)34-13-6-4-5-12-31(2)18-20/h4-5,7-11,14-17,28H,3,6,12-13,18-19H2,1-2H3,(H,27,29,30)/b5-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant JAK2 using poly(Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay				J Med Chem 55: 169-96 (2012) Checked by Author Article DOI: 10.1021/jm201112g BindingDB Entry DOI: 10.7270/Q2M61KPN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50384871 (CHEMBL2035052) Show SMILES C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccnc(OCC\C=C\COCc1c2)c3 |t:29| Show InChI InChI=1S/C27H31N5O3/c1-4-15-33-20-22-18-23(6-7-25(22)34-17-14-32-12-2-3-13-32)30-27-29-11-9-24(31-27)21-8-10-28-26(19-21)35-16-5-1/h1,4,6-11,18-19H,2-3,5,12-17,20H2,(H,29,30,31)/b4-1+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant JAK2 using poly(Glu,Ala,Tyr) as substrate after 2 hrs by luminometric assay				J Med Chem 55: 2623-40 (2012) Article DOI: 10.1021/jm201454n BindingDB Entry DOI: 10.7270/Q2CC11RG
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50362408 (CHEMBL1940142) Show SMILES Cc1nccn1-c1nc(nc(n1)-c1ccc(C)c2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C20H21N7O/c1-13-3-4-16(15-5-6-22-17(13)15)18-23-19(26-9-11-28-12-10-26)25-20(24-18)27-8-7-21-14(27)2/h3-8,22H,9-12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 22: 1009-13 (2012) Article DOI: 10.1016/j.bmcl.2011.12.001 BindingDB Entry DOI: 10.7270/Q2T15439
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50400305 (CHEMBL2181088) Show SMILES Cc1cnc2Nc3ccc(OCCN4CCCC4)c(COCC=CCOCc4cccc(c4)-c1n2)c3 |w:23.24| Show InChI InChI=1S/C29H34N4O3/c1-22-19-30-29-31-26-9-10-27(36-16-13-33-11-2-3-12-33)25(18-26)21-35-15-5-4-14-34-20-23-7-6-8-24(17-23)28(22)32-29/h4-10,17-19H,2-3,11-16,20-21H2,1H3,(H,30,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant FLT3 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay				J Med Chem 54: 4638-58 (2011) Article DOI: 10.1021/jm200326p BindingDB Entry DOI: 10.7270/Q2J1049M
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50400307 (CHEMBL2181084) Show SMILES C(CN1CCOCC1)Oc1cc2COCC=CCOCc3cccc(c3)-c3ccnc(Nc(c2)c1)n3 |w:16.17| Show InChI InChI=1S/C28H32N4O4/c1-2-12-35-21-23-17-25(19-26(18-23)36-15-10-32-8-13-33-14-9-32)30-28-29-7-6-27(31-28)24-5-3-4-22(16-24)20-34-11-1/h1-7,16-19H,8-15,20-21H2,(H,29,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant FLT3 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay				J Med Chem 54: 4638-58 (2011) Article DOI: 10.1021/jm200326p BindingDB Entry DOI: 10.7270/Q2J1049M
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50363198 (CHEMBL1946006) Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cc(N)cc(C1)c3)n2 |t:3| Show InChI InChI=1S/C23H25N5O/c1-28-10-3-2-4-11-29-21-7-5-6-18(14-21)22-8-9-25-23(27-22)26-20-13-17(16-28)12-19(24)15-20/h2-3,5-9,12-15H,4,10-11,16,24H2,1H3,(H,25,26,27)/b3-2+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Flt3 using poly(Glu,Tyr) as substrate after 2 hrs by luminescence assay				J Med Chem 55: 169-96 (2012) Checked by Author Article DOI: 10.1021/jm201112g BindingDB Entry DOI: 10.7270/Q2M61KPN
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50315850 (CHEMBL1091643 | N-(6-methyl-3-styryl-1H-indazol-5-...) Show SMILES Cc1cc2[nH]nc(\C=C\c3ccccc3)c2cc1NC(=O)Cc1ccccc1 Show InChI InChI=1S/C24H21N3O/c1-17-14-23-20(21(26-27-23)13-12-18-8-4-2-5-9-18)16-22(17)25-24(28)15-19-10-6-3-7-11-19/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27)/b13-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd Curated by ChEMBL					Assay Description Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence				Bioorg Med Chem Lett 20: 2443-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.018 BindingDB Entry DOI: 10.7270/Q24B31HK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50400302 (CHEMBL2181313) Show SMILES COc1ccc-2cc1COCC=CCOCc1cc(Nc3nccc-2n3)ccc1OCCN1CCCC1 |w:11.11| Show InChI InChI=1S/C29H34N4O4/c1-34-27-8-6-22-18-23(27)20-35-15-4-5-16-36-21-24-19-25(31-29-30-11-10-26(22)32-29)7-9-28(24)37-17-14-33-12-2-3-13-33/h4-11,18-19H,2-3,12-17,20-21H2,1H3,(H,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant JAK2 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay				J Med Chem 54: 4638-58 (2011) Article DOI: 10.1021/jm200326p BindingDB Entry DOI: 10.7270/Q2J1049M
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50363211 (CHEMBL1947162) Show SMILES C1C\C=C\CNCc2cccc(Nc3nccc(n3)-c3cccc(O1)c3)c2 |t:2| Show InChI InChI=1S/C22H22N4O/c1-2-11-23-16-17-6-4-8-19(14-17)25-22-24-12-10-21(26-22)18-7-5-9-20(15-18)27-13-3-1/h1-2,4-10,12,14-15,23H,3,11,13,16H2,(H,24,25,26)/b2-1+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cdk2/cyclin A using RbING as substrate after 2 hrs by luminescence assay				J Med Chem 55: 169-96 (2012) Checked by Author Article DOI: 10.1021/jm201112g BindingDB Entry DOI: 10.7270/Q2M61KPN
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50400308 (CHEMBL2181083) Show SMILES C(CN1CCCC1)Oc1cc2COCC=CCOCc3cccc(c3)-c3ccnc(Nc(c2)c1)n3 |w:15.16| Show InChI InChI=1S/C28H32N4O3/c1-2-11-32(10-1)12-15-35-26-18-23-17-25(19-26)30-28-29-9-8-27(31-28)24-7-5-6-22(16-24)20-33-13-3-4-14-34-21-23/h3-9,16-19H,1-2,10-15,20-21H2,(H,29,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant FLT3 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay				J Med Chem 54: 4638-58 (2011) Article DOI: 10.1021/jm200326p BindingDB Entry DOI: 10.7270/Q2J1049M
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50400312 (CHEMBL2181330) Show SMILES C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cccc(COCC=CCOCc1c2)c3 |w:27.28| Show InChI InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant FLT3 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay				J Med Chem 54: 4638-58 (2011) Article DOI: 10.1021/jm200326p BindingDB Entry DOI: 10.7270/Q2J1049M
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50384882 (CHEMBL2035044) Show SMILES CN1C\C=C\CCOc2cc(ccn2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3| Show InChI InChI=1S/C22H23N5O/c1-27-12-3-2-4-13-28-21-15-18(8-10-23-21)20-9-11-24-22(26-20)25-19-7-5-6-17(14-19)16-27/h2-3,5-11,14-15H,4,12-13,16H2,1H3,(H,24,25,26)/b3-2+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant CDK2 using RbING as substrate after 2 hrs by luminometric assay				J Med Chem 55: 2623-40 (2012) Article DOI: 10.1021/jm201454n BindingDB Entry DOI: 10.7270/Q2CC11RG
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50384876 (CHEMBL2035182) Show SMILES COCCOc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\CN(C)Cc1c2)s3 |t:24| Show InChI InChI=1S/C24H28N4O3S/c1-28-11-3-4-12-30-17-20-6-8-23(32-20)21-9-10-25-24(27-21)26-19-5-7-22(18(15-19)16-28)31-14-13-29-2/h3-10,15H,11-14,16-17H2,1-2H3,(H,25,26,27)/b4-3+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant FLT3 using poly(Glu,Tyr) as substrate after 2 hrs by luminometric assay				J Med Chem 55: 2623-40 (2012) Article DOI: 10.1021/jm201454n BindingDB Entry DOI: 10.7270/Q2CC11RG
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50363225 (CHEMBL1945566) Show SMILES CCS(=O)(=O)c1ccc2Nc3nccc(n3)-c3cccc(OCC\C=C\CN(C)Cc1c2)c3 |t:25| Show InChI InChI=1S/C25H28N4O3S/c1-3-33(30,31)24-11-10-21-16-20(24)18-29(2)14-5-4-6-15-32-22-9-7-8-19(17-22)23-12-13-26-25(27-21)28-23/h4-5,7-13,16-17H,3,6,14-15,18H2,1-2H3,(H,26,27,28)/b5-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cdk2/cyclin A using RbING as substrate after 2 hrs by luminescence assay				J Med Chem 55: 169-96 (2012) Checked by Author Article DOI: 10.1021/jm201112g BindingDB Entry DOI: 10.7270/Q2M61KPN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50400310 (CHEMBL2181332) Show SMILES O=C1CCCN1CCOc1ccc2Nc3nccc(n3)-c3cccc(COCC=CCOCc1c2)c3 |w:28.29| Show InChI InChI=1S/C28H30N4O4/c33-27-7-4-12-32(27)13-16-36-26-9-8-24-18-23(26)20-35-15-2-1-14-34-19-21-5-3-6-22(17-21)25-10-11-29-28(30-24)31-25/h1-3,5-6,8-11,17-18H,4,7,12-16,19-20H2,(H,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant JAK2 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay				J Med Chem 54: 4638-58 (2011) Article DOI: 10.1021/jm200326p BindingDB Entry DOI: 10.7270/Q2J1049M
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50315851 (2-phenyl-N-(3-styryl-1H-indazol-5-yl)acetamide | C...) Show SMILES O=C(Cc1ccccc1)Nc1ccc2[nH]nc(\C=C\c3ccccc3)c2c1 Show InChI InChI=1S/C23H19N3O/c27-23(15-18-9-5-2-6-10-18)24-19-12-14-22-20(16-19)21(25-26-22)13-11-17-7-3-1-4-8-17/h1-14,16H,15H2,(H,24,27)(H,25,26)/b13-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd Curated by ChEMBL					Assay Description Inhibition of hexahistidine tagged recombinant Aurora A expressed in Hi-5 cells assessed as ATP remaining after 2 hrs by bioluminnescence				Bioorg Med Chem Lett 20: 2443-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.018 BindingDB Entry DOI: 10.7270/Q24B31HK
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50360580 (CHEMBL1933343) Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2nc(Nc3cccc(C1)c3)ncc2C |t:3| Show InChI InChI=1S/C24H26N4O/c1-18-16-25-24-26-21-10-6-8-19(14-21)17-28(2)12-4-3-5-13-29-22-11-7-9-20(15-22)23(18)27-24/h3-4,6-11,14-16H,5,12-13,17H2,1-2H3,(H,25,26,27)/b4-3+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Flt3 using poly(Glu,Tyr) as substrate after 2 hrs by luminescence assay				J Med Chem 55: 169-96 (2012) Checked by Author Article DOI: 10.1021/jm201112g BindingDB Entry DOI: 10.7270/Q2M61KPN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50400309 (CHEMBL2181082) Show SMILES O=C1CCN(CCOc2ccc3Nc4nccc(n4)-c4cccc(COCC=CCOCc2c3)c4)C1 |w:27.27| Show InChI InChI=1S/C28H30N4O4/c33-25-9-11-32(18-25)12-15-36-27-7-6-24-17-23(27)20-35-14-2-1-13-34-19-21-4-3-5-22(16-21)26-8-10-29-28(30-24)31-26/h1-8,10,16-17H,9,11-15,18-20H2,(H,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant JAK2 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay				J Med Chem 54: 4638-58 (2011) Article DOI: 10.1021/jm200326p BindingDB Entry DOI: 10.7270/Q2J1049M
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50363197 (CHEMBL1946005) Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cc(C1)cc(NC(=O)C(F)(F)F)c3)n2 |t:3| Show InChI InChI=1S/C25H24F3N5O2/c1-33-10-3-2-4-11-35-21-7-5-6-18(14-21)22-8-9-29-24(32-22)31-20-13-17(16-33)12-19(15-20)30-23(34)25(26,27)28/h2-3,5-9,12-15H,4,10-11,16H2,1H3,(H,30,34)(H,29,31,32)/b3-2+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Flt3 using poly(Glu,Tyr) as substrate after 2 hrs by luminescence assay				J Med Chem 55: 169-96 (2012) Checked by Author Article DOI: 10.1021/jm201112g BindingDB Entry DOI: 10.7270/Q2M61KPN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50400312 (CHEMBL2181330) Show SMILES C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cccc(COCC=CCOCc1c2)c3 |w:27.28| Show InChI InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant JAK2 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay				J Med Chem 54: 4638-58 (2011) Article DOI: 10.1021/jm200326p BindingDB Entry DOI: 10.7270/Q2J1049M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50384877 (CHEMBL2035183) Show SMILES C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\COCc1c2)s3 |t:28| Show InChI InChI=1S/C26H30N4O3S/c1-2-12-30(11-1)13-16-33-24-7-5-21-17-20(24)18-31-14-3-4-15-32-19-22-6-8-25(34-22)23-9-10-27-26(28-21)29-23/h3-10,17H,1-2,11-16,18-19H2,(H,27,28,29)/b4-3+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant FLT3 using poly(Glu,Tyr) as substrate after 2 hrs by luminometric assay				J Med Chem 55: 2623-40 (2012) Article DOI: 10.1021/jm201454n BindingDB Entry DOI: 10.7270/Q2CC11RG
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50363222 (CHEMBL1945051) Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3ccc(Cl)c(C1)c3)n2 |t:3| Show InChI InChI=1S/C23H23ClN4O/c1-28-12-3-2-4-13-29-20-7-5-6-17(15-20)22-10-11-25-23(27-22)26-19-8-9-21(24)18(14-19)16-28/h2-3,5-11,14-15H,4,12-13,16H2,1H3,(H,25,26,27)/b3-2+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Cdk2/cyclin A using RbING as substrate after 2 hrs by luminescence assay				J Med Chem 55: 169-96 (2012) Checked by Author Article DOI: 10.1021/jm201112g BindingDB Entry DOI: 10.7270/Q2M61KPN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50400313 (CHEMBL2181329) Show SMILES CCN(CC)CCOc1ccc2Nc3nccc(n3)-c3cccc(COCC=CCOCc1c2)c3 |w:27.27| Show InChI InChI=1S/C28H34N4O3/c1-3-32(4-2)14-17-35-27-11-10-25-19-24(27)21-34-16-6-5-15-33-20-22-8-7-9-23(18-22)26-12-13-29-28(30-25)31-26/h5-13,18-19H,3-4,14-17,20-21H2,1-2H3,(H,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant JAK2 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay				J Med Chem 54: 4638-58 (2011) Article DOI: 10.1021/jm200326p BindingDB Entry DOI: 10.7270/Q2J1049M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50400315 (CHEMBL2181312) Show SMILES Fc1cc2COCC=CCOCc3cc(Nc4nccc(n4)-c(c1)c2)ccc3OCCN1CCCC1 |w:7.6| Show InChI InChI=1S/C28H31FN4O3/c29-24-16-21-15-22(17-24)26-7-8-30-28(32-26)31-25-5-6-27(36-14-11-33-9-1-2-10-33)23(18-25)20-35-13-4-3-12-34-19-21/h3-8,15-18H,1-2,9-14,19-20H2,(H,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant JAK2 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay				J Med Chem 54: 4638-58 (2011) Article DOI: 10.1021/jm200326p BindingDB Entry DOI: 10.7270/Q2J1049M
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50362405 (CHEMBL1940139) Show SMILES Cc1nccn1-c1nc(nc(n1)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C15H17N9O/c1-10-17-2-3-24(10)15-21-12(11-8-18-13(16)19-9-11)20-14(22-15)23-4-6-25-7-5-23/h2-3,8-9H,4-7H2,1H3,(H2,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 22: 1009-13 (2012) Article DOI: 10.1016/j.bmcl.2011.12.001 BindingDB Entry DOI: 10.7270/Q2T15439
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50363224 (CHEMBL1945565) Show SMILES COCCOc1ccc2Nc3nccc(n3)-c3cccc(OCC\C=C\CN(C)Cc1c2)c3 |t:25| Show InChI InChI=1S/C26H30N4O3/c1-30-13-4-3-5-14-32-23-8-6-7-20(18-23)24-11-12-27-26(29-24)28-22-9-10-25(21(17-22)19-30)33-16-15-31-2/h3-4,6-12,17-18H,5,13-16,19H2,1-2H3,(H,27,28,29)/b4-3+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant Flt3 using poly(Glu,Tyr) as substrate after 2 hrs by luminescence assay				J Med Chem 55: 169-96 (2012) Checked by Author Article DOI: 10.1021/jm201112g BindingDB Entry DOI: 10.7270/Q2M61KPN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50400301 (CHEMBL2181314) Show SMILES Fc1ccc-2cc1COCC=CCOCc1cc(Nc3nccc-2n3)ccc1OCCN1CCCC1 |w:10.10| Show InChI InChI=1S/C28H31FN4O3/c29-25-7-5-21-17-22(25)19-34-14-3-4-15-35-20-23-18-24(31-28-30-10-9-26(21)32-28)6-8-27(23)36-16-13-33-11-1-2-12-33/h3-10,17-18H,1-2,11-16,19-20H2,(H,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant JAK2 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay				J Med Chem 54: 4638-58 (2011) Article DOI: 10.1021/jm200326p BindingDB Entry DOI: 10.7270/Q2J1049M
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50400311 (CHEMBL2181331) Show SMILES C(CN1CCCCC1)Oc1ccc2Nc3nccc(n3)-c3cccc(COCC=CCOCc1c2)c3 |w:28.29| Show InChI InChI=1S/C29H34N4O3/c1-2-13-33(14-3-1)15-18-36-28-10-9-26-20-25(28)22-35-17-5-4-16-34-21-23-7-6-8-24(19-23)27-11-12-30-29(31-26)32-27/h4-12,19-20H,1-3,13-18,21-22H2,(H,30,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant FLT3 using Poly (Glu,Ala,Tyr) as substrate after 2 hrs by luminescence assay				J Med Chem 54: 4638-58 (2011) Article DOI: 10.1021/jm200326p BindingDB Entry DOI: 10.7270/Q2J1049M
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50315837 (CHEMBL1091232 | N-(3-(3-((4-methylpiperazin-1-yl)m...) Show SMILES CN1CCN(Cc2cccc(\C=C\c3n[nH]c4ccc(NC(=O)Cc5cccs5)cc34)c2)CC1 Show InChI InChI=1S/C27H29N5OS/c1-31-11-13-32(14-12-31)19-21-5-2-4-20(16-21)7-9-25-24-17-22(8-10-26(24)30-29-25)28-27(33)18-23-6-3-15-34-23/h2-10,15-17H,11-14,18-19H2,1H3,(H,28,33)(H,29,30)/b9-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd Curated by ChEMBL					Assay Description Inhibition of GST tagged recombinant Aurora B expressed in Hi-5 cells after 1 hr by TRF assay				Bioorg Med Chem Lett 20: 2443-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.018 BindingDB Entry DOI: 10.7270/Q24B31HK
					More data for this Ligand-Target Pair

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