Compile Data Set for Download or QSAR

Found 182 hits with Last Name = 'bdzhola' and Initial = 'vg'   

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
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50431322 (CHEMBL2346710) Show SMILES CC(N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(Cl)c2)C1=O)C(O)=O Show InChI InChI=1S/C17H11Cl2NO4S2/c1-8(16(22)23)20-15(21)14(26-17(20)25)7-10-3-5-13(24-10)9-2-4-11(18)12(19)6-9/h2-8H,1H3,(H,22,23)/b14-7-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Competitive inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by Lineweaver-Burk plo...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM32315 (CHEMBL1345690 | MLS000715851 | SMR000277368 | cid_...) Show SMILES CCOC(=O)c1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23 Show InChI InChI=1S/C19H13NO4/c1-2-24-19(23)16-15-10-6-3-4-7-11(10)17(21)12-8-5-9-13(14(12)15)20-18(16)22/h3-9H,2H2,1H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Competitive inhibition of human ASK1 by Lineweaver-Burk plot analysis				J Med Chem 54: 2680-6 (2011) Article DOI: 10.1021/jm200117h BindingDB Entry DOI: 10.7270/Q2ST7Q45
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50023730 (CHEMBL3330167) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-c1cn[nH]c1 Show InChI InChI=1S/C21H21N5O/c1-21(2,3)17-7-4-14(5-8-17)20(27)25-18-13-26-12-15(6-9-19(26)24-18)16-10-22-23-11-16/h4-13H,1-3H3,(H,22,23)(H,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of ASK1 (unknown origin)				Bioorg Med Chem Lett 24: 4418-23 (2014) Article DOI: 10.1016/j.bmcl.2014.08.011 BindingDB Entry DOI: 10.7270/Q2348MZZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50023729 (CHEMBL3330168) Show SMILES NC[C@H](Oc1cnc(-c2ccoc2)c(c1)-c1c[nH]c2ncccc12)c1ccccc1 |r| Show InChI InChI=1S/C24H20N4O2/c25-12-22(16-5-2-1-3-6-16)30-18-11-20(23(27-13-18)17-8-10-29-15-17)21-14-28-24-19(21)7-4-9-26-24/h1-11,13-15,22H,12,25H2,(H,26,28)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of ASK1 (unknown origin)				Bioorg Med Chem Lett 24: 4418-23 (2014) Article DOI: 10.1016/j.bmcl.2014.08.011 BindingDB Entry DOI: 10.7270/Q2348MZZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50023728 (CHEMBL3330169) Show SMILES NCCNS(=O)(=O)c1ccc(s1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C13H14N4O2S2/c14-5-7-17-21(18,19)12-4-3-11(20-12)10-8-16-13-9(10)2-1-6-15-13/h1-4,6,8,17H,5,7,14H2,(H,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of ASK1 (unknown origin)				Bioorg Med Chem Lett 24: 4418-23 (2014) Article DOI: 10.1016/j.bmcl.2014.08.011 BindingDB Entry DOI: 10.7270/Q2348MZZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50023727 (CHEMBL3330170) Show SMILES FC(F)(F)c1cc(NC2CC2)n2nc(NC(=O)c3cccnc3)nc2c1 Show InChI InChI=1S/C16H13F3N6O/c17-16(18,19)10-6-12(21-11-3-4-11)25-13(7-10)22-15(24-25)23-14(26)9-2-1-5-20-8-9/h1-2,5-8,11,21H,3-4H2,(H,23,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of ASK1 (unknown origin)				Bioorg Med Chem Lett 24: 4418-23 (2014) Article DOI: 10.1016/j.bmcl.2014.08.011 BindingDB Entry DOI: 10.7270/Q2348MZZ
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50067349 (CHEMBL3401782) Show SMILES Oc1cccc(Nc2ncnc3sc(cc23)-c2ccccc2)c1 Show InChI InChI=1S/C18H13N3OS/c22-14-8-4-7-13(9-14)21-17-15-10-16(12-5-2-1-3-6-12)23-18(15)20-11-19-17/h1-11,22H,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Biology and Genetics NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of FGFR1 (unknown origin) using KKKSPGEYVNIEFG peptide substrate assessed as incorporation of [32P] into peptide by scintillation counting...				Bioorg Med Chem 23: 2287-93 (2015) Article DOI: 10.1016/j.bmc.2014.12.044 BindingDB Entry DOI: 10.7270/Q2RB7692
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50067348 (CHEMBL3401781) Show SMILES Oc1cccc(Nc2ncnc3scc(-c4ccccc4)c23)c1 Show InChI InChI=1S/C18H13N3OS/c22-14-8-4-7-13(9-14)21-17-16-15(12-5-2-1-3-6-12)10-23-18(16)20-11-19-17/h1-11,22H,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Biology and Genetics NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of FGFR1 (unknown origin) using KKKSPGEYVNIEFG peptide substrate assessed as incorporation of [32P] into peptide by scintillation counting...				Bioorg Med Chem 23: 2287-93 (2015) Article DOI: 10.1016/j.bmc.2014.12.044 BindingDB Entry DOI: 10.7270/Q2RB7692
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM8434 (4-[(5Z)-5-{[5-(4-bromophenyl)furan-2-yl]methyliden...) Show SMILES OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C1=O Show InChI InChI=1S/C18H14BrNO4S2/c19-12-5-3-11(4-6-12)14-8-7-13(24-14)10-15-17(23)20(18(25)26-15)9-1-2-16(21)22/h3-8,10H,1-2,9H2,(H,21,22)/b15-10-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50431315 (CHEMBL2349206) Show SMILES OC(=O)CCCCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C1=O Show InChI InChI=1S/C20H18BrNO4S2/c21-14-7-5-13(6-8-14)16-10-9-15(26-16)12-17-19(25)22(20(27)28-17)11-3-1-2-4-18(23)24/h5-10,12H,1-4,11H2,(H,23,24)/b17-12-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50023725 (CHEMBL3330172) Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(s1)S(=O)(=O)NCCN Show InChI InChI=1S/C14H16N4O2S2/c1-9-8-11-10(4-6-16-14(11)18-9)12-2-3-13(21-12)22(19,20)17-7-5-15/h2-4,6,8,17H,5,7,15H2,1H3,(H,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of ASK1 (unknown origin)				Bioorg Med Chem Lett 24: 4418-23 (2014) Article DOI: 10.1016/j.bmcl.2014.08.011 BindingDB Entry DOI: 10.7270/Q2348MZZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50023726 (CHEMBL3330171) Show SMILES NC(=O)c1ccc(OC2CCNCC2)c2c(c[nH]c12)C#N Show InChI InChI=1S/C15H16N4O2/c16-7-9-8-19-14-11(15(17)20)1-2-12(13(9)14)21-10-3-5-18-6-4-10/h1-2,8,10,18-19H,3-6H2,(H2,17,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of ASK1 (unknown origin)				Bioorg Med Chem Lett 24: 4418-23 (2014) Article DOI: 10.1016/j.bmcl.2014.08.011 BindingDB Entry DOI: 10.7270/Q2348MZZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50431329 (CHEMBL2348833) Show SMILES OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2Cl)C1=O Show InChI InChI=1S/C18H14ClNO4S2/c19-13-5-2-1-4-12(13)14-8-7-11(24-14)10-15-17(23)20(18(25)26-15)9-3-6-16(21)22/h1-2,4-5,7-8,10H,3,6,9H2,(H,21,22)/b15-10-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50431310 (CHEMBL2349212) Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2F)C1=O Show InChI InChI=1S/C17H12FNO4S2/c18-12-4-2-1-3-11(12)13-6-5-10(23-13)9-14-16(22)19(17(24)25-14)8-7-15(20)21/h1-6,9H,7-8H2,(H,20,21)/b14-9-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50158548 (CHEMBL3781511) Show SMILES NC1=C(C(=O)CN1c1cccc(O)c1)c1nc2ccccc2[nH]1 |t:1| Show InChI InChI=1S/C17H14N4O2/c18-16-15(17-19-12-6-1-2-7-13(12)20-17)14(23)9-21(16)10-4-3-5-11(22)8-10/h1-8,22H,9,18H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human FGFR1 (456 to 765 residues) expressed in baculovirus infected insect Sf21 cells after 25 mins u...				Bioorg Med Chem 24: 2053-9 (2016) Article DOI: 10.1016/j.bmc.2016.03.036 BindingDB Entry DOI: 10.7270/Q2D50PVJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50431326 (CHEMBL1688850) Show SMILES OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(Cl)c2)C1=O Show InChI InChI=1S/C18H14ClNO4S2/c19-12-4-1-3-11(9-12)14-7-6-13(24-14)10-15-17(23)20(18(25)26-15)8-2-5-16(21)22/h1,3-4,6-7,9-10H,2,5,8H2,(H,21,22)/b15-10-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50431324 (CHEMBL2348837) Show SMILES OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2cc(Cl)ccc2Cl)C1=O Show InChI InChI=1S/C18H13Cl2NO4S2/c19-10-3-5-13(20)12(8-10)14-6-4-11(25-14)9-15-17(24)21(18(26)27-15)7-1-2-16(22)23/h3-6,8-9H,1-2,7H2,(H,22,23)/b15-9-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50067347 (CHEMBL3401780) Show SMILES CC1CCc2sc3ncnc(Nc4cccc(O)c4)c3c2C1 Show InChI InChI=1S/C17H17N3OS/c1-10-5-6-14-13(7-10)15-16(18-9-19-17(15)22-14)20-11-3-2-4-12(21)8-11/h2-4,8-10,21H,5-7H2,1H3,(H,18,19,20)	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	450	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Biology and Genetics NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of FGFR1 (unknown origin) using KKKSPGEYVNIEFG peptide substrate assessed as incorporation of [32P] into peptide by scintillation counting...				Bioorg Med Chem 23: 2287-93 (2015) Article DOI: 10.1016/j.bmc.2014.12.044 BindingDB Entry DOI: 10.7270/Q2RB7692
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50431300 (CHEMBL2349219) Show SMILES OC(=O)CCCCCN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C21H18F3NO4S2/c22-21(23,24)14-6-4-5-13(11-14)16-9-8-15(29-16)12-17-19(28)25(20(30)31-17)10-3-1-2-7-18(26)27/h4-6,8-9,11-12H,1-3,7,10H2,(H,26,27)/b17-12-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50067345 (CHEMBL3401778) Show SMILES Oc1cccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)c1 Show InChI InChI=1S/C18H12ClN3OS/c19-12-6-4-11(5-7-12)15-9-24-18-16(15)17(20-10-21-18)22-13-2-1-3-14(23)8-13/h1-10,23H,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Biology and Genetics NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of FGFR1 (unknown origin) using KKKSPGEYVNIEFG peptide substrate assessed as incorporation of [32P] into peptide by scintillation counting...				Bioorg Med Chem 23: 2287-93 (2015) Article DOI: 10.1016/j.bmc.2014.12.044 BindingDB Entry DOI: 10.7270/Q2RB7692
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50067346 (CHEMBL3401779) Show SMILES CCOC(=O)c1sc2ncnc(Nc3cccc(O)c3)c2c1C Show InChI InChI=1S/C16H15N3O3S/c1-3-22-16(21)13-9(2)12-14(17-8-18-15(12)23-13)19-10-5-4-6-11(20)7-10/h4-8,20H,3H2,1-2H3,(H,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Biology and Genetics NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of FGFR1 (unknown origin) using KKKSPGEYVNIEFG peptide substrate assessed as incorporation of [32P] into peptide by scintillation counting...				Bioorg Med Chem 23: 2287-93 (2015) Article DOI: 10.1016/j.bmc.2014.12.044 BindingDB Entry DOI: 10.7270/Q2RB7692
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50431323 (CHEMBL2348838) Show SMILES CCC(N1C(=S)S\C(=C/c2ccc(o2)-c2cc(Cl)ccc2Cl)C1=O)C(O)=O Show InChI InChI=1S/C18H13Cl2NO4S2/c1-2-13(17(23)24)21-16(22)15(27-18(21)26)8-10-4-6-14(25-10)11-7-9(19)3-5-12(11)20/h3-8,13H,2H2,1H3,(H,23,24)/b15-8-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50431321 (CHEMBL2348839) Show SMILES OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2c(Cl)cccc2Cl)C1=O Show InChI InChI=1S/C18H13Cl2NO4S2/c19-11-3-1-4-12(20)16(11)13-7-6-10(25-13)9-14-17(24)21(18(26)27-14)8-2-5-15(22)23/h1,3-4,6-7,9H,2,5,8H2,(H,22,23)/b14-9-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50431328 (CHEMBL2348834) Show SMILES OC(=O)CCCCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2Cl)C1=O Show InChI InChI=1S/C20H18ClNO4S2/c21-15-7-4-3-6-14(15)16-10-9-13(26-16)12-17-19(25)22(20(27)28-17)11-5-1-2-8-18(23)24/h3-4,6-7,9-10,12H,1-2,5,8,11H2,(H,23,24)/b17-12-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50431314 (CHEMBL2349207) Show SMILES CCC(N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C1=O)C(O)=O Show InChI InChI=1S/C18H14BrNO4S2/c1-2-13(17(22)23)20-16(21)15(26-18(20)25)9-12-7-8-14(24-12)10-3-5-11(19)6-4-10/h3-9,13H,2H2,1H3,(H,22,23)/b15-9-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50431313 (CHEMBL2349208) Show SMILES CCCC(N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C1=O)C(O)=O Show InChI InChI=1S/C19H16BrNO4S2/c1-2-3-14(18(23)24)21-17(22)16(27-19(21)26)10-13-8-9-15(25-13)11-4-6-12(20)7-5-11/h4-10,14H,2-3H2,1H3,(H,23,24)/b16-10-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50069517 (CHEMBL3402508) Show SMILES CC(C)CCOc1cccc(c1)C1N(C(=O)C(O)=C1C(=O)c1ccc2OC(C)Cc2c1)c1nc2ccc(F)cc2s1 |c:18| Show InChI InChI=1S/C32H29FN2O5S/c1-17(2)11-12-39-23-6-4-5-19(15-23)28-27(29(36)20-7-10-25-21(14-20)13-18(3)40-25)30(37)31(38)35(28)32-34-24-9-8-22(33)16-26(24)41-32/h4-10,14-18,28,37H,11-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of recombinant ASK1 catalytic subunit (unknown origin) using MBP substrate and gamma-labeled 32P ATP incubated for 20 mins by liquid scint...				Bioorg Med Chem 23: 2489-97 (2015) Article DOI: 10.1016/j.bmc.2015.03.056 BindingDB Entry DOI: 10.7270/Q2FQ9Z9X
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50158540 (CHEMBL3781099) Show SMILES COc1ccc(Cl)cc1N1CC(=O)C(=C1N)c1nc2ccccc2[nH]1 |c:14| Show InChI InChI=1S/C18H15ClN4O2/c1-25-15-7-6-10(19)8-13(15)23-9-14(24)16(17(23)20)18-21-11-4-2-3-5-12(11)22-18/h2-8H,9,20H2,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human FGFR1 (456 to 765 residues) expressed in baculovirus infected insect Sf21 cells after 25 mins u...				Bioorg Med Chem 24: 2053-9 (2016) Article DOI: 10.1016/j.bmc.2016.03.036 BindingDB Entry DOI: 10.7270/Q2D50PVJ
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50158547 (CHEMBL3781980) Show SMILES Cc1ccc2nc([nH]c2c1)C1=C(N)N(CC1=O)c1cccc(O)c1 |c:12| Show InChI InChI=1S/C18H16N4O2/c1-10-5-6-13-14(7-10)21-18(20-13)16-15(24)9-22(17(16)19)11-3-2-4-12(23)8-11/h2-8,23H,9,19H2,1H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human FGFR1 (456 to 765 residues) expressed in baculovirus infected insect Sf21 cells after 25 mins u...				Bioorg Med Chem 24: 2053-9 (2016) Article DOI: 10.1016/j.bmc.2016.03.036 BindingDB Entry DOI: 10.7270/Q2D50PVJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50431303 (CHEMBL2349217) Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C1=O Show InChI InChI=1S/C17H12N2O6S2/c20-15(21)7-8-18-16(22)14(27-17(18)26)9-12-5-6-13(25-12)10-1-3-11(4-2-10)19(23)24/h1-6,9H,7-8H2,(H,20,21)/b14-9-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50431322 (CHEMBL2346710) Show SMILES CC(N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(Cl)c2)C1=O)C(O)=O Show InChI InChI=1S/C17H11Cl2NO4S2/c1-8(16(22)23)20-15(21)14(26-17(20)25)7-10-3-5-13(24-10)9-2-4-11(18)12(19)6-9/h2-8H,1H3,(H,22,23)/b14-7-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50067344 (CHEMBL3401777) Show SMILES Cc1ccc(cc1)-c1csc2ncnc(Nc3cccc(O)c3)c12 Show InChI InChI=1S/C19H15N3OS/c1-12-5-7-13(8-6-12)16-10-24-19-17(16)18(20-11-21-19)22-14-3-2-4-15(23)9-14/h2-11,23H,1H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Biology and Genetics NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of FGFR1 (unknown origin) using KKKSPGEYVNIEFG peptide substrate assessed as incorporation of [32P] into peptide by scintillation counting...				Bioorg Med Chem 23: 2287-93 (2015) Article DOI: 10.1016/j.bmc.2014.12.044 BindingDB Entry DOI: 10.7270/Q2RB7692
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50442529 (CHEMBL2440886) Show SMILES Cc1sc2nc(SCC(=O)N3CCN(CCO)CC3)[nH]c(=O)c2c1C Show InChI InChI=1S/C16H22N4O3S2/c1-10-11(2)25-15-13(10)14(23)17-16(18-15)24-9-12(22)20-5-3-19(4-6-20)7-8-21/h21H,3-9H2,1-2H3,(H,17,18,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of PARP-1 (unknown origin) after 60 mins by colorimetric assay				Bioorg Med Chem Lett 23: 5790-4 (2013) Article DOI: 10.1016/j.bmcl.2013.09.007 BindingDB Entry DOI: 10.7270/Q2SJ1N3V
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50431330 (CHEMBL2348832) Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2Cl)C1=O Show InChI InChI=1S/C17H12ClNO4S2/c18-12-4-2-1-3-11(12)13-6-5-10(23-13)9-14-16(22)19(17(24)25-14)8-7-15(20)21/h1-6,9H,7-8H2,(H,20,21)/b14-9-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50431325 (CHEMBL2348836) Show SMILES CCC(N1C(=S)S\C(=C/c2ccc(o2)-c2cccc(Cl)c2)C1=O)C(O)=O Show InChI InChI=1S/C18H14ClNO4S2/c1-2-13(17(22)23)20-16(21)15(26-18(20)25)9-12-6-7-14(24-12)10-4-3-5-11(19)8-10/h3-9,13H,2H2,1H3,(H,22,23)/b15-9-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50069518 (CHEMBL3402507) Show SMILES CCCCCOc1ccc(cc1)C1N(C(=O)C(O)=C1C(=O)c1ccc2OC(C)Cc2c1)c1nc2ccc(F)cc2s1 |c:18| Show InChI InChI=1S/C32H29FN2O5S/c1-3-4-5-14-39-23-10-6-19(7-11-23)28-27(29(36)20-8-13-25-21(16-20)15-18(2)40-25)30(37)31(38)35(28)32-34-24-12-9-22(33)17-26(24)41-32/h6-13,16-18,28,37H,3-5,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of recombinant ASK1 catalytic subunit (unknown origin) using MBP substrate and gamma-labeled 32P ATP incubated for 20 mins by liquid scint...				Bioorg Med Chem 23: 2489-97 (2015) Article DOI: 10.1016/j.bmc.2015.03.056 BindingDB Entry DOI: 10.7270/Q2FQ9Z9X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50431318 (CHEMBL2349203) Show SMILES CSCCC(N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(Cl)c2)C1=O)C(O)=O Show InChI InChI=1S/C19H15Cl2NO4S3/c1-28-7-6-14(18(24)25)22-17(23)16(29-19(22)27)9-11-3-5-15(26-11)10-2-4-12(20)13(21)8-10/h2-5,8-9,14H,6-7H2,1H3,(H,24,25)/b16-9-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50431306 (CHEMBL2349215) Show SMILES CCOC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C(CC(O)=O)C(C)=O)C2=O)o1 Show InChI InChI=1S/C22H19NO7S2/c1-3-29-21(28)14-6-4-13(5-7-14)17-9-8-15(30-17)10-18-20(27)23(22(31)32-18)16(12(2)24)11-19(25)26/h4-10,16H,3,11H2,1-2H3,(H,25,26)/b18-10-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50431327 (CHEMBL2348835) Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(Cl)c2)C1=O Show InChI InChI=1S/C17H12ClNO4S2/c18-11-3-1-2-10(8-11)13-5-4-12(23-13)9-14-16(22)19(17(24)25-14)7-6-15(20)21/h1-5,8-9H,6-7H2,(H,20,21)/b14-9-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50431320 (CHEMBL2349201) Show SMILES OC(=O)CC(N1C(=S)S\C(=C/c2ccc(o2)-c2c(Cl)cccc2Cl)C1=O)C(O)=O Show InChI InChI=1S/C18H11Cl2NO6S2/c19-9-2-1-3-10(20)15(9)12-5-4-8(27-12)6-13-16(24)21(18(28)29-13)11(17(25)26)7-14(22)23/h1-6,11H,7H2,(H,22,23)(H,25,26)/b13-6-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50158541 (CHEMBL3781649) Show SMILES NC1=C(C(=O)CN1c1cccc(Cl)c1)c1nc2ccccc2[nH]1 |t:1| Show InChI InChI=1S/C17H13ClN4O/c18-10-4-3-5-11(8-10)22-9-14(23)15(16(22)19)17-20-12-6-1-2-7-13(12)21-17/h1-8H,9,19H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human FGFR1 (456 to 765 residues) expressed in baculovirus infected insect Sf21 cells after 25 mins u...				Bioorg Med Chem 24: 2053-9 (2016) Article DOI: 10.1016/j.bmc.2016.03.036 BindingDB Entry DOI: 10.7270/Q2D50PVJ
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50067341 (CHEMBL3401775) Show SMILES Oc1ccc(Nc2ncnc3sc(cc23)-c2ccccc2)cc1 Show InChI InChI=1S/C18H13N3OS/c22-14-8-6-13(7-9-14)21-17-15-10-16(12-4-2-1-3-5-12)23-18(15)20-11-19-17/h1-11,22H,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Biology and Genetics NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of FGFR1 (unknown origin) using KKKSPGEYVNIEFG peptide substrate assessed as incorporation of [32P] into peptide by scintillation counting...				Bioorg Med Chem 23: 2287-93 (2015) Article DOI: 10.1016/j.bmc.2014.12.044 BindingDB Entry DOI: 10.7270/Q2RB7692
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50431331 (CHEMBL2348831) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2Cl)C1=O Show InChI InChI=1S/C16H10ClNO4S2/c17-11-4-2-1-3-10(11)12-6-5-9(22-12)7-13-15(21)18(8-14(19)20)16(23)24-13/h1-7H,8H2,(H,19,20)/b13-7-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50067340 (CHEMBL3401774) Show SMILES Cc1sc2ncnc(Nc3ccc(O)cc3)c2c1-c1ccccc1 Show InChI InChI=1S/C19H15N3OS/c1-12-16(13-5-3-2-4-6-13)17-18(20-11-21-19(17)24-12)22-14-7-9-15(23)10-8-14/h2-11,23H,1H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Biology and Genetics NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of FGFR1 (unknown origin) using KKKSPGEYVNIEFG peptide substrate assessed as incorporation of [32P] into peptide by scintillation counting...				Bioorg Med Chem 23: 2287-93 (2015) Article DOI: 10.1016/j.bmc.2014.12.044 BindingDB Entry DOI: 10.7270/Q2RB7692
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha/beta (Homo sapiens (Human)-Rattus norvegicus)	BDBM248081 (3-{[2-chloro-4-(1,1-dioxido-3-oxoisothiazolidin-2-...) Show SMILES OC(=O)c1cccc(NC(=O)c2ccc(cc2Cl)N2C(=O)CCS2(=O)=O)c1 Show InChI InChI=1S/C17H13ClN2O6S/c18-14-9-12(20-15(21)6-7-27(20,25)26)4-5-13(14)16(22)19-11-3-1-2-10(8-11)17(23)24/h1-5,8-9H,6-7H2,(H,19,22)(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	7.5	30
NAS of Ukraine					Assay Description Each test was performed twice in a total reaction volume of 30 μL, containing 6 μg of peptide substrate RRRDDDSDDD (New England Biolabs (UK) Lt...				J Enzyme Inhib Med Chem 29: 338-43 (2014) Article DOI: 10.3109/14756366.2013.782024 BindingDB Entry DOI: 10.7270/Q2DB80RP
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50069541 (CHEMBL3402485) Show SMILES Cc1ccc(o1)C(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)c1nc2ccc(F)cc2s1 |c:9| Show InChI InChI=1S/C27H23FN2O4S/c1-14-5-12-19(34-14)23(31)21-22(15-6-8-16(9-7-15)27(2,3)4)30(25(33)24(21)32)26-29-18-11-10-17(28)13-20(18)35-26/h5-13,22,32H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of recombinant ASK1 catalytic subunit (unknown origin) using MBP substrate and gamma-labeled 32P ATP incubated for 20 mins by liquid scint...				Bioorg Med Chem 23: 2489-97 (2015) Article DOI: 10.1016/j.bmc.2015.03.056 BindingDB Entry DOI: 10.7270/Q2FQ9Z9X
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50067330 (CHEMBL3401765) Show SMILES Fc1ccc(Nc2ncnc3sc4CCCCCc4c23)cc1Cl Show InChI InChI=1S/C17H15ClFN3S/c18-12-8-10(6-7-13(12)19)22-16-15-11-4-2-1-3-5-14(11)23-17(15)21-9-20-16/h6-9H,1-5H2,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Biology and Genetics NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of FGFR1 (unknown origin) using KKKSPGEYVNIEFG peptide substrate assessed as incorporation of [32P] into peptide by scintillation counting...				Bioorg Med Chem 23: 2287-93 (2015) Article DOI: 10.1016/j.bmc.2014.12.044 BindingDB Entry DOI: 10.7270/Q2RB7692
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50067339 (CHEMBL1626011) Show SMILES Oc1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1 Show InChI InChI=1S/C18H13N3OS/c22-14-8-6-13(7-9-14)21-17-16-15(12-4-2-1-3-5-12)10-23-18(16)20-11-19-17/h1-11,22H,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Biology and Genetics NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of FGFR1 (unknown origin) using KKKSPGEYVNIEFG peptide substrate assessed as incorporation of [32P] into peptide by scintillation counting...				Bioorg Med Chem 23: 2287-93 (2015) Article DOI: 10.1016/j.bmc.2014.12.044 BindingDB Entry DOI: 10.7270/Q2RB7692
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50431302 (CHEMBL2349218) Show SMILES CCCC(N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C1=O)C(O)=O Show InChI InChI=1S/C19H16N2O6S2/c1-2-3-14(18(23)24)20-17(22)16(29-19(20)28)10-13-8-9-15(27-13)11-4-6-12(7-5-11)21(25)26/h4-10,14H,2-3H2,1H3,(H,23,24)/b16-10-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50431305 (CHEMBL2349216) Show SMILES CCc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C(CC(O)=O)C(O)=O)C2=O)o1 Show InChI InChI=1S/C20H17NO6S2/c1-2-11-3-5-12(6-4-11)15-8-7-13(27-15)9-16-18(24)21(20(28)29-16)14(19(25)26)10-17(22)23/h3-9,14H,2,10H2,1H3,(H,22,23)(H,25,26)/b16-9-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...				Eur J Med Chem 61: 104-15 (2013) Article DOI: 10.1016/j.ejmech.2012.09.022 BindingDB Entry DOI: 10.7270/Q2FX7BTH
					More data for this Ligand-Target Pair

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