Compile Data Set for Download or QSAR

Found 484 hits with Last Name = 'wahhab' and Initial = 'a'   

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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19428 ((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...) Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus after 10 mins by fluorimetric analysis				Bioorg Med Chem Lett 19: 5684-8 (2009) Article DOI: 10.1016/j.bmcl.2009.08.010 BindingDB Entry DOI: 10.7270/Q2NZ87QH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50277188 (CHEMBL473270 | N1-(biphenyl-3-yl)-N8-hydroxyoctane...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H24N2O3/c23-19(13-6-1-2-7-14-20(24)22-25)21-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,25H,1-2,6-7,13-14H2,(H,21,23)(H,22,24)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry				Bioorg Med Chem Lett 19: 336-40 (2008) Article DOI: 10.1016/j.bmcl.2008.11.081 BindingDB Entry DOI: 10.7270/Q2416WXB
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM24496 (3-(3-fluoro-4-{[2-(pyrrolidin-1-ylcarbonyl)thieno[...) Show SMILES Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)C(=O)N1CCCC1 Show InChI InChI=1S/C27H23FN4O3S2/c28-19-15-18(30-27(36)31-24(33)14-17-6-2-1-3-7-17)8-9-21(19)35-22-10-11-29-20-16-23(37-25(20)22)26(34)32-12-4-5-13-32/h1-3,6-11,15-16H,4-5,12-14H2,(H2,30,31,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50277188 (CHEMBL473270 | N1-(biphenyl-3-yl)-N8-hydroxyoctane...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H24N2O3/c23-19(13-6-1-2-7-14-20(24)22-25)21-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,25H,1-2,6-7,13-14H2,(H,21,23)(H,22,24)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry				Bioorg Med Chem Lett 19: 336-40 (2008) Article DOI: 10.1016/j.bmcl.2008.11.081 BindingDB Entry DOI: 10.7270/Q2416WXB
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM24500 (3-(3-fluoro-4-{[2-(1-methyl-1H-imidazol-2-yl)thien...) Show SMILES Cn1ccnc1-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 Show InChI InChI=1S/C26H20FN5O2S2/c1-32-12-11-29-25(32)22-15-19-24(36-22)21(9-10-28-19)34-20-8-7-17(14-18(20)27)30-26(35)31-23(33)13-16-5-3-2-4-6-16/h2-12,14-15H,13H2,1H3,(H2,30,31,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255853 (4-(((R)-2,3-dihydro-2-oxo-3-phenethylquinoxalin-4(...) Show SMILES ONC(=O)c1ccc(CN2[C@H](CCc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C24H23N3O3/c28-23(26-30)19-13-10-18(11-14-19)16-27-21-9-5-4-8-20(21)25-24(29)22(27)15-12-17-6-2-1-3-7-17/h1-11,13-14,22,30H,12,15-16H2,(H,25,29)(H,26,28)/t22-/m1/s1	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	10	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 2				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255852 (4-(((R)-3-(4-hydroxybenzyl)-2,3-dihydro-2-oxoquino...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O4/c27-18-11-7-15(8-12-18)13-21-23(29)24-19-3-1-2-4-20(19)26(21)14-16-5-9-17(10-6-16)22(28)25-30/h1-12,21,27,30H,13-14H2,(H,24,29)(H,25,28)/t21-/m1/s1	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	10	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM24498 (3-(3-fluoro-4-{[2-(1-methyl-1H-imidazol-4-yl)thien...) Show SMILES Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 Show InChI InChI=1S/C26H20FN5O2S2/c1-32-14-20(29-15-32)23-13-19-25(36-23)22(9-10-28-19)34-21-8-7-17(12-18(21)27)30-26(35)31-24(33)11-16-5-3-2-4-6-16/h2-10,12-15H,11H2,1H3,(H2,30,31,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255096 (4-(((R)-3-benzyl-2,3-dihydro-2-oxoquinoxalin-4(1H)...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/m1/s1	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	10	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19428 ((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...) Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal FLAG-tagged HDAC2 expressed in baculovirus after 10 mins by fluorimetric analysis				Bioorg Med Chem Lett 19: 5684-8 (2009) Article DOI: 10.1016/j.bmcl.2009.08.010 BindingDB Entry DOI: 10.7270/Q2NZ87QH
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM24499 (3-(4-{[2-(1-ethyl-1H-imidazol-4-yl)thieno[3,2-b]py...) Show SMILES CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 Show InChI InChI=1S/C27H22FN5O2S2/c1-2-33-15-21(30-16-33)24-14-20-26(37-24)23(10-11-29-20)35-22-9-8-18(13-19(22)28)31-27(36)32-25(34)12-17-6-4-3-5-7-17/h3-11,13-16H,2,12H2,1H3,(H2,31,32,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM24505 (3-(3-fluoro-4-{[2-(pyridin-2-yl)thieno[3,2-b]pyrid...) Show SMILES Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1ccccn1 Show InChI InChI=1S/C27H19FN4O2S2/c28-19-15-18(31-27(35)32-25(33)14-17-6-2-1-3-7-17)9-10-22(19)34-23-11-13-30-21-16-24(36-26(21)23)20-8-4-5-12-29-20/h1-13,15-16H,14H2,(H2,31,32,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM24504 (3-(3-fluoro-4-{[2-(1,3-thiazol-2-yl)thieno[3,2-b]p...) Show SMILES Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1nccs1 Show InChI InChI=1S/C25H17FN4O2S3/c26-17-13-16(29-25(33)30-22(31)12-15-4-2-1-3-5-15)6-7-19(17)32-20-8-9-27-18-14-21(35-23(18)20)24-28-10-11-34-24/h1-11,13-14H,12H2,(H2,29,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM24493 (7-(2-fluoro-4-{[(1-phenylacetamido)methanethioyl]a...) Show SMILES CN(C)C(=O)c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 Show InChI InChI=1S/C25H21FN4O3S2/c1-30(2)24(32)21-14-18-23(35-21)20(10-11-27-18)33-19-9-8-16(13-17(19)26)28-25(34)29-22(31)12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H2,28,29,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM24502 (3-(3-fluoro-4-{[2-(1-methyl-1H-pyrazol-4-yl)thieno...) Show SMILES Cn1cc(cn1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 Show InChI InChI=1S/C26H20FN5O2S2/c1-32-15-17(14-29-32)23-13-20-25(36-23)22(9-10-28-20)34-21-8-7-18(12-19(21)27)30-26(35)31-24(33)11-16-5-3-2-4-6-16/h2-10,12-15H,11H2,1H3,(H2,30,31,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	7.5	30
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM24502 (3-(3-fluoro-4-{[2-(1-methyl-1H-pyrazol-4-yl)thieno...) Show SMILES Cn1cc(cn1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 Show InChI InChI=1S/C26H20FN5O2S2/c1-32-15-17(14-29-32)23-13-20-25(36-23)22(9-10-28-20)34-21-8-7-18(12-19(21)27)30-26(35)31-24(33)11-16-5-3-2-4-6-16/h2-10,12-15H,11H2,1H3,(H2,30,31,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM24501 (3-(4-{[2-(1-ethyl-1H-imidazol-2-yl)thieno[3,2-b]py...) Show SMILES CCn1ccnc1-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 Show InChI InChI=1S/C27H22FN5O2S2/c1-2-33-13-12-30-26(33)23-16-20-25(37-23)22(10-11-29-20)35-21-9-8-18(15-19(21)28)31-27(36)32-24(34)14-17-6-4-3-5-7-17/h3-13,15-16H,2,14H2,1H3,(H2,31,32,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM24503 (3-(3-fluoro-4-{[2-(1-methyl-1H-1,2,4-triazol-5-yl)...) Show SMILES Cn1ncnc1-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 Show InChI InChI=1S/C25H19FN6O2S2/c1-32-24(28-14-29-32)21-13-18-23(36-21)20(9-10-27-18)34-19-8-7-16(12-17(19)26)30-25(35)31-22(33)11-15-5-3-2-4-6-15/h2-10,12-14H,11H2,1H3,(H2,30,31,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM24498 (3-(3-fluoro-4-{[2-(1-methyl-1H-imidazol-4-yl)thien...) Show SMILES Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 Show InChI InChI=1S/C26H20FN5O2S2/c1-32-14-20(29-15-32)23-13-19-25(36-23)22(9-10-28-19)34-21-8-7-17(12-18(21)27)30-26(35)31-24(33)11-16-5-3-2-4-6-16/h2-10,12-15H,11H2,1H3,(H2,30,31,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	7.5	30
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM24510 (3-(3-fluoro-4-{[2-(1-methyl-1H-pyrrol-2-yl)thieno[...) Show SMILES Cn1cccc1-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 Show InChI InChI=1S/C27H21FN4O2S2/c1-32-13-5-8-21(32)24-16-20-26(36-24)23(11-12-29-20)34-22-10-9-18(15-19(22)28)30-27(35)31-25(33)14-17-6-3-2-4-7-17/h2-13,15-16H,14H2,1H3,(H2,30,31,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM24485 (3-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophe...) Show SMILES COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2cc1OC Show InChI InChI=1S/C26H22FN3O4S/c1-32-23-14-18-20(15-24(23)33-2)28-11-10-21(18)34-22-9-8-17(13-19(22)27)29-26(35)30-25(31)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H2,29,30,31,35)	PDB MMDB 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	32	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM24509 (3-(3-fluoro-4-{[2-(thiophen-2-yl)thieno[3,2-b]pyri...) Show SMILES Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1cccs1 Show InChI InChI=1S/C26H18FN3O2S3/c27-18-14-17(29-26(33)30-24(31)13-16-5-2-1-3-6-16)8-9-20(18)32-21-10-11-28-19-15-23(35-25(19)21)22-7-4-12-34-22/h1-12,14-15H,13H2,(H2,29,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255809 (4-(((R)-3-(3,4-difluorobenzyl)-2,3-dihydro-2-oxoqu...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(F)c(F)c3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H19F2N3O3/c24-17-10-7-15(11-18(17)25)12-21-23(30)26-19-3-1-2-4-20(19)28(21)13-14-5-8-16(9-6-14)22(29)27-31/h1-11,21,31H,12-13H2,(H,26,30)(H,27,29)/t21-/m1/s1	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	40	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255854 ((R)-tert-butyl 4-(1-(4-(hydroxycarbamoyl)benzyl)-3...) Show SMILES CC(C)(C)OC(=O)NCCCC[C@H]1N(Cc2ccc(cc2)C(=O)NO)c2ccccc2NC1=O |r| Show InChI InChI=1S/C25H32N4O5/c1-25(2,3)34-24(32)26-15-7-6-10-21-23(31)27-19-8-4-5-9-20(19)29(21)16-17-11-13-18(14-12-17)22(30)28-33/h4-5,8-9,11-14,21,33H,6-7,10,15-16H2,1-3H3,(H,26,32)(H,27,31)(H,28,30)/t21-/m1/s1	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	40	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255914 (4-(((R)-2,3-dihydro-2-oxo-3-((thiophen-2-yl)methyl...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3cccs3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C21H19N3O3S/c25-20(23-27)15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)22-21(26)19(24)12-16-4-3-11-28-16/h1-11,19,27H,12-13H2,(H,22,26)(H,23,25)/t19-/m1/s1	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	40	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM24493 (7-(2-fluoro-4-{[(1-phenylacetamido)methanethioyl]a...) Show SMILES CN(C)C(=O)c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 Show InChI InChI=1S/C25H21FN4O3S2/c1-30(2)24(32)21-14-18-23(35-21)20(10-11-27-18)33-19-9-8-16(13-17(19)26)28-25(34)29-22(31)12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H2,28,29,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	7.5	30
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM24510 (3-(3-fluoro-4-{[2-(1-methyl-1H-pyrrol-2-yl)thieno[...) Show SMILES Cn1cccc1-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 Show InChI InChI=1S/C27H21FN4O2S2/c1-32-13-5-8-21(32)24-16-20-26(36-24)23(11-12-29-20)34-22-10-9-18(15-19(22)28)30-27(35)31-25(33)14-17-6-3-2-4-7-17/h2-13,15-16H,14H2,1H3,(H2,30,31,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	7.5	30
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50300446 (CHEMBL583490 | N-hydroxy-9H-xanthene-9-carboxamide) Show SMILES ONC(=O)C1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C14H11NO3/c16-14(15-17)13-9-5-1-3-7-11(9)18-12-8-4-2-6-10(12)13/h1-8,13,17H,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal FLAG-tagged HDAC7 (438-915) expressed in baculovirus after 10 mins by fluorimetric analysis				Bioorg Med Chem Lett 19: 5684-8 (2009) Article DOI: 10.1016/j.bmcl.2009.08.010 BindingDB Entry DOI: 10.7270/Q2NZ87QH
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255910 (4-(((R)-3-(4-tert-butoxybenzyl)-2,3-dihydro-2-oxoq...) Show SMILES CC(C)(C)Oc1ccc(C[C@H]2N(Cc3ccc(cc3)C(=O)NO)c3ccccc3NC2=O)cc1 |r| Show InChI InChI=1S/C27H29N3O4/c1-27(2,3)34-21-14-10-18(11-15-21)16-24-26(32)28-22-6-4-5-7-23(22)30(24)17-19-8-12-20(13-9-19)25(31)29-33/h4-15,24,33H,16-17H2,1-3H3,(H,28,32)(H,29,31)/t24-/m1/s1	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	50	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM24500 (3-(3-fluoro-4-{[2-(1-methyl-1H-imidazol-2-yl)thien...) Show SMILES Cn1ccnc1-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 Show InChI InChI=1S/C26H20FN5O2S2/c1-32-12-11-29-25(32)22-15-19-24(36-22)21(9-10-28-19)34-20-8-7-17(14-18(20)27)30-26(35)31-23(33)13-16-5-3-2-4-6-16/h2-12,14-15H,13H2,1H3,(H2,30,31,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	7.5	30
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM24499 (3-(4-{[2-(1-ethyl-1H-imidazol-4-yl)thieno[3,2-b]py...) Show SMILES CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 Show InChI InChI=1S/C27H22FN5O2S2/c1-2-33-15-21(30-16-33)24-14-20-26(37-24)23(10-11-29-20)35-22-9-8-18(13-19(22)28)31-27(36)32-25(34)12-17-6-4-3-5-7-17/h3-11,13-16H,2,12H2,1H3,(H2,31,32,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	7.5	30
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM24496 (3-(3-fluoro-4-{[2-(pyrrolidin-1-ylcarbonyl)thieno[...) Show SMILES Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)C(=O)N1CCCC1 Show InChI InChI=1S/C27H23FN4O3S2/c28-19-15-18(30-27(36)31-24(33)14-17-6-2-1-3-7-17)8-9-21(19)35-22-10-11-29-20-16-23(37-25(20)22)26(34)32-12-4-5-13-32/h1-3,6-11,15-16H,4-5,12-14H2,(H2,30,31,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	7.5	30
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Mus musculus (mouse))	BDBM27642 (1-(5-{[(2S)-2-aminopropanamido]methyl}thiophen-3-y...) Show SMILES COc1ccccc1CNC(=O)c1cc(nn1-c1csc(CNC(=O)[C@H](C)N)c1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F3N5O3S/c1-12(25)19(30)27-10-15-7-14(11-33-15)29-16(8-18(28-29)21(22,23)24)20(31)26-9-13-5-3-4-6-17(13)32-2/h3-8,11-12H,9-10,25H2,1-2H3,(H,26,31)(H,27,30)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	9.0	22
MethylGene Inc.					Assay Description Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...				Bioorg Med Chem Lett 19: 1218-23 (2009) Article DOI: 10.1016/j.bmcl.2008.12.075 BindingDB Entry DOI: 10.7270/Q2K64GC6
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50277329 ((S)-benzyl 1-(6-methoxyquinolin-8-ylamino)-1-oxo-6...) Show SMILES COc1cc(NC(=O)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc2ccccc2)c2ncccc2c1 |r| Show InChI InChI=1S/C24H29N5O6S/c1-34-19-14-18-10-7-12-26-22(18)21(15-19)28-23(30)20(11-5-6-13-27-36(25,32)33)29-24(31)35-16-17-8-3-2-4-9-17/h2-4,7-10,12,14-15,20,27H,5-6,11,13,16H2,1H3,(H,28,30)(H,29,31)(H2,25,32,33)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry				Bioorg Med Chem Lett 19: 336-40 (2008) Article DOI: 10.1016/j.bmcl.2008.11.081 BindingDB Entry DOI: 10.7270/Q2416WXB
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Mus musculus (mouse))	BDBM27641 (1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-[(...) Show SMILES COc1ccccc1CNC(=O)c1cc(nn1-c1cccc(CNC(=O)[C@H](C)N)c1)C(F)(F)F |r| Show InChI InChI=1S/C23H24F3N5O3/c1-14(27)21(32)28-12-15-6-5-8-17(10-15)31-18(11-20(30-31)23(24,25)26)22(33)29-13-16-7-3-4-9-19(16)34-2/h3-11,14H,12-13,27H2,1-2H3,(H,28,32)(H,29,33)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	9.0	22
MethylGene Inc.					Assay Description Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...				Bioorg Med Chem Lett 19: 1218-23 (2009) Article DOI: 10.1016/j.bmcl.2008.12.075 BindingDB Entry DOI: 10.7270/Q2K64GC6
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM24508 (3-(3-fluoro-4-{[2-(1,3,4-thiadiazol-2-yl)thieno[3,...) Show SMILES Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1nncs1 Show InChI InChI=1S/C24H16FN5O2S3/c25-16-11-15(28-24(33)29-21(31)10-14-4-2-1-3-5-14)6-7-18(16)32-19-8-9-26-17-12-20(35-22(17)19)23-30-27-13-34-23/h1-9,11-13H,10H2,(H2,28,29,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	7.5	30
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Mus musculus (mouse))	BDBM27641 (1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-[(...) Show SMILES COc1ccccc1CNC(=O)c1cc(nn1-c1cccc(CNC(=O)[C@H](C)N)c1)C(F)(F)F |r| Show InChI InChI=1S/C23H24F3N5O3/c1-14(27)21(32)28-12-15-6-5-8-17(10-15)31-18(11-20(30-31)23(24,25)26)22(33)29-13-16-7-3-4-9-19(16)34-2/h3-11,14H,12-13,27H2,1-2H3,(H,28,32)(H,29,33)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged mouse recombinant CARM1 expressed in Sf9 cells by microbeta counting				Bioorg Med Chem Lett 19: 6725-32 (2009) Article DOI: 10.1016/j.bmcl.2009.09.110 BindingDB Entry DOI: 10.7270/Q20P104P
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM24505 (3-(3-fluoro-4-{[2-(pyridin-2-yl)thieno[3,2-b]pyrid...) Show SMILES Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1ccccn1 Show InChI InChI=1S/C27H19FN4O2S2/c28-19-15-18(31-27(35)32-25(33)14-17-6-2-1-3-7-17)9-10-22(19)34-23-11-13-30-21-16-24(36-26(21)23)20-8-4-5-12-29-20/h1-13,15-16H,14H2,(H2,31,32,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	7.5	30
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM24512 (3-(3-fluoro-4-{[2-(pyrimidin-5-yl)thieno[3,2-b]pyr...) Show SMILES Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1cncnc1 Show InChI InChI=1S/C26H18FN5O2S2/c27-19-11-18(31-26(35)32-24(33)10-16-4-2-1-3-5-16)6-7-21(19)34-22-8-9-30-20-12-23(36-25(20)22)17-13-28-15-29-14-17/h1-9,11-15H,10H2,(H2,31,32,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	7.5	30
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50257130 ((S)-2-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...) Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCNS(N)(=O)=O)C(=O)Nc3nc(cs3)-c3ccccc3)c2c1 |r| Show InChI InChI=1S/C27H32N6O5S2/c1-17-20(21-14-19(38-2)11-12-22(21)30-17)15-25(34)31-23(10-6-7-13-29-40(28,36)37)26(35)33-27-32-24(16-39-27)18-8-4-3-5-9-18/h3-5,8-9,11-12,14,16,23,29-30H,6-7,10,13,15H2,1-2H3,(H,31,34)(H2,28,36,37)(H,32,33,35)/t23-/m0/s1	PDB MMDB 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	64	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant FLAG-tagged HDAC1 expressed in baculovirus				Bioorg Med Chem Lett 19: 1866-70 (2009) Article DOI: 10.1016/j.bmcl.2009.02.075 BindingDB Entry DOI: 10.7270/Q2PV6K7W
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM24504 (3-(3-fluoro-4-{[2-(1,3-thiazol-2-yl)thieno[3,2-b]p...) Show SMILES Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1nccs1 Show InChI InChI=1S/C25H17FN4O2S3/c26-17-13-16(29-25(33)30-22(31)12-15-4-2-1-3-5-15)6-7-19(17)32-20-8-9-27-18-14-21(35-23(18)20)24-28-10-11-34-24/h1-11,13-14H,12H2,(H2,29,30,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	7.5	30
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM24491 (7-(2-fluoro-4-{[(1-phenylacetamido)methanethioyl]a...) Show SMILES NC(=O)c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 Show InChI InChI=1S/C23H17FN4O3S2/c24-15-11-14(27-23(32)28-20(29)10-13-4-2-1-3-5-13)6-7-17(15)31-18-8-9-26-16-12-19(22(25)30)33-21(16)18/h1-9,11-12H,10H2,(H2,25,30)(H2,27,28,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	7.5	30
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM24503 (3-(3-fluoro-4-{[2-(1-methyl-1H-1,2,4-triazol-5-yl)...) Show SMILES Cn1ncnc1-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 Show InChI InChI=1S/C25H19FN6O2S2/c1-32-24(28-14-29-32)21-13-18-23(36-21)20(9-10-27-18)34-19-8-7-16(12-17(19)26)30-25(35)31-22(33)11-15-5-3-2-4-6-15/h2-10,12-14H,11H2,1H3,(H2,30,31,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	7.5	30
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM24509 (3-(3-fluoro-4-{[2-(thiophen-2-yl)thieno[3,2-b]pyri...) Show SMILES Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1cccs1 Show InChI InChI=1S/C26H18FN3O2S3/c27-18-14-17(29-26(33)30-24(31)13-16-5-2-1-3-6-16)8-9-20(18)32-21-10-11-28-19-15-23(35-25(19)21)22-7-4-12-34-22/h1-12,14-15H,13H2,(H2,29,30,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	7.5	30
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM24511 (3-(3-fluoro-4-{[2-(furan-3-yl)thieno[3,2-b]pyridin...) Show SMILES Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1ccoc1 Show InChI InChI=1S/C26H18FN3O3S2/c27-19-13-18(29-26(34)30-24(31)12-16-4-2-1-3-5-16)6-7-21(19)33-22-8-10-28-20-14-23(35-25(20)22)17-9-11-32-15-17/h1-11,13-15H,12H2,(H2,29,30,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	7.5	30
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Mus musculus (mouse))	BDBM27659 (1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-be...) Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1C(=O)NCc1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C22H22F3N5O2/c1-14(26)20(31)27-13-16-8-5-9-17(10-16)30-18(11-19(29-30)22(23,24)25)21(32)28-12-15-6-3-2-4-7-15/h2-11,14H,12-13,26H2,1H3,(H,27,31)(H,28,32)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	9.0	22
MethylGene Inc.					Assay Description Histone H3 is used as the substrate for CARM-1 enzyme, and the methylation is monitored using tritiated S-Adenosyl-Methionine (SAM) as a methyl donor...				Bioorg Med Chem Lett 19: 1218-23 (2009) Article DOI: 10.1016/j.bmcl.2008.12.075 BindingDB Entry DOI: 10.7270/Q2K64GC6
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM24492 (7-(2-fluoro-4-{[(1-phenylacetamido)methanethioyl]a...) Show SMILES CNC(=O)c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 Show InChI InChI=1S/C24H19FN4O3S2/c1-26-23(31)20-13-17-22(34-20)19(9-10-27-17)32-18-8-7-15(12-16(18)25)28-24(33)29-21(30)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H,26,31)(H2,28,29,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.5	30
MethylGene Inc.					Assay Description Inhibition of kinase activity was measured in a DELFIA assay (Perkin-Elmer). The substrate poly (Glu4, Tyr) was immobilized onto black high-binding p...				Bioorg Med Chem Lett 18: 2793-8 (2008) Article DOI: 10.1016/j.bmcl.2008.04.009 BindingDB Entry DOI: 10.7270/Q25X2778
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50300443 (2,2-bis(3-fluorophenyl)-N-hydroxyacetamide | CHEMB...) Show SMILES ONC(=O)C(c1cccc(F)c1)c1cccc(F)c1 Show InChI InChI=1S/C14H11F2NO2/c15-11-5-1-3-9(7-11)13(14(18)17-19)10-4-2-6-12(16)8-10/h1-8,13,19H,(H,17,18)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal FLAG-tagged HDAC5 (620-1122) expressed in baculovirus after 10 mins by fluorimetric analysis				Bioorg Med Chem Lett 19: 5684-8 (2009) Article DOI: 10.1016/j.bmcl.2009.08.010 BindingDB Entry DOI: 10.7270/Q2NZ87QH
					More data for this Ligand-Target Pair

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