Compile Data Set for Download or QSAR

Found 1062 hits with Last Name = 'meier' and Initial = 'c'   

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))	BDBM19423 (HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	<0.200	<-55.4	1	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19423 (HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.5	-50.4	13	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM178095 (BRD2492) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccncc1 Show InChI InChI=1S/C20H18N4O2/c1-13(25)23-17-5-2-15(3-6-17)20(26)24-19-12-16(4-7-18(19)21)14-8-10-22-11-9-14/h2-12H,21H2,1H3,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	3	-48.6	2	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50037187 ((2R)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimeth...) Show SMILES COc1cc2C[C@@H](CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Binding affinity tested against acetylcholinesterase in Torpedo californica				J Med Chem 47: 2839-52 (2004) Article DOI: 10.1021/jm031032a BindingDB Entry DOI: 10.7270/Q2P84CN5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 2 (Homo sapiens (Human))	BDBM178095 (BRD2492) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccncc1 Show InChI InChI=1S/C20H18N4O2/c1-13(25)23-17-5-2-15(3-6-17)20(26)24-19-12-16(4-7-18(19)21)14-8-10-22-11-9-14/h2-12H,21H2,1H3,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	14	-44.8	19	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50037176 ((2S)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimeth...) Show SMILES COc1cc2C[C@H](CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3/t20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Binding affinity tested against acetylcholinesterase in Torpedo californica				J Med Chem 47: 2839-52 (2004) Article DOI: 10.1021/jm031032a BindingDB Entry DOI: 10.7270/Q2P84CN5
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19422 (4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	25	-43.4	46	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM178100 (BRD3308 | US11377423, Cmpd 1) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(F)cc1N Show InChI InChI=1S/C15H14FN3O2/c1-9(20)18-12-5-2-10(3-6-12)15(21)19-14-7-4-11(16)8-13(14)17/h2-8H,17H2,1H3,(H,18,20)(H,19,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	29	-43.0	64	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19422 (4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	37	-42.4	41	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50064015 (7-Propyl-azepan-(2Z)-ylideneamine; hydrochloride |...) Show SMILES CCCC1CCCCC(N)=N1 |c:9| Show InChI InChI=1S/C9H18N2/c1-2-5-8-6-3-4-7-9(10)11-8/h8H,2-7H2,1H3,(H2,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against L-arginine binding to Inducible nitric oxide synthase				J Med Chem 41: 1361-6 (1998) Article DOI: 10.1021/jm9704715 BindingDB Entry DOI: 10.7270/Q2348M29
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19422 (4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	223	-38.0	147	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19423 (HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	500	-36.0	398	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-10 (Rattus norvegicus)	BDBM50366779 (METHYLLYCACONITINE) Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14 |r,wU:4.4,48.54,44.48,42.46,36.39,39.43,wD:28.52,35.36,31.32,29.31,47.50,25.27,32.34,TLB:23:4:28:44.42,4:47:36.29.35:48,1:2:28:44.42,45:44:36.29.35:48,44:47:24.23.25:3.48.2,42:36:32:29.30,THB:37:36:32:29.30,40:39:32:29.30,5:4:28:44.42,(5.29,-1.99,;6.48,-1.02,;7.91,-1.57,;7.91,-4.71,;8.6,-3.19,;9.67,-4.27,;9.27,-5.75,;10.35,-6.84,;11.83,-6.45,;9.94,-8.32,;8.46,-8.7,;8.06,-10.18,;9.14,-11.27,;10.63,-10.87,;11.02,-9.39,;12.51,-8.99,;13.7,-9.95,;13.62,-11.48,;14.98,-9.12,;14.58,-7.64,;15.55,-6.45,;13.05,-7.56,;11.52,-7.55,;7.27,-2.43,;7.27,-.88,;8.6,-.11,;8.59,1.42,;7.27,2.19,;9.93,-.88,;11.13,.09,;10.97,1.62,;12.38,2.24,;13.41,1.1,;17.14,1.1,;17.91,-.25,;12.64,-.24,;13.31,-1.62,;14.39,-2.7,;15.18,-1.64,;15.11,2.18,;16.19,3.26,;15.8,4.74,;12.66,-3.02,;13.74,-4.1,;11.15,-3.38,;10.82,-4.87,;12.29,-5.26,;9.94,-2.42,;9.88,1.15,)| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3/t21-,22-,24+,25+,27-,28+,29-,30+,33-,34+,35-,36+,37+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio University Curated by ChEMBL					Assay Description Binding affinity towards alpha3-beta4 neuronal nicotinic acetylcholine receptor				Bioorg Med Chem Lett 14: 3739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.05.001 BindingDB Entry DOI: 10.7270/Q28G8M80
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM178100 (BRD3308 | US11377423, Cmpd 1) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(F)cc1N Show InChI InChI=1S/C15H14FN3O2/c1-9(20)18-12-5-2-10(3-6-12)15(21)19-14-7-4-11(16)8-13(14)17/h2-8H,17H2,1H3,(H,18,20)(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	5.10E+3	-30.2	1.08E+3	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM178100 (BRD3308 | US11377423, Cmpd 1) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(F)cc1N Show InChI InChI=1S/C15H14FN3O2/c1-9(20)18-12-5-2-10(3-6-12)15(21)19-14-7-4-11(16)8-13(14)17/h2-8H,17H2,1H3,(H,18,20)(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	6.30E+3	-29.7	1.15E+3	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM178095 (BRD2492) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccncc1 Show InChI InChI=1S/C20H18N4O2/c1-13(25)23-17-5-2-15(3-6-17)20(26)24-19-12-16(4-7-18(19)21)14-8-10-22-11-9-14/h2-12H,21H2,1H3,(H,23,25)(H,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	-27.7	2.08E+3	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9 (Homo sapiens (Human))	BDBM50035297 (CHEBI:28862 | CHEMBL1232205) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](CO[P@@](O)(=O)OP(O)(O)=O)O1 |r| Show InChI InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	5.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hamburg University Curated by ChEMBL					Assay Description Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting				Bioorg Med Chem 22: 6430-7 (2014) Article DOI: 10.1016/j.bmc.2014.09.038 BindingDB Entry DOI: 10.7270/Q2G73GC7
					More data for this Ligand-Target Pair
4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9 (Homo sapiens (Human))	BDBM92459 (CHEMBL384759 | GDP | Guanosine Diphosphate) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	7.79E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hamburg University Curated by ChEMBL					Assay Description Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting				Bioorg Med Chem 22: 6430-7 (2014) Article DOI: 10.1016/j.bmc.2014.09.038 BindingDB Entry DOI: 10.7270/Q2G73GC7
					More data for this Ligand-Target Pair				3D Structure (crystal)
4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9 (Homo sapiens (Human))	BDBM50370754 (CHEMBL252929) Show SMILES Nc1nc2N(CNc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H18N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h3,5-6,9,12,16-17H,1-2H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	8.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hamburg University Curated by ChEMBL					Assay Description Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting				Bioorg Med Chem 22: 6430-7 (2014) Article DOI: 10.1016/j.bmc.2014.09.038 BindingDB Entry DOI: 10.7270/Q2G73GC7
					More data for this Ligand-Target Pair
4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9 (Homo sapiens (Human))	BDBM50035296 (CHEMBL3343356) Show SMILES NC[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C16H26N6O15P2/c17-1-4-7(23)9(25)11(27)15(35-4)36-39(31,32)37-38(29,30)33-2-5-8(24)10(26)14(34-5)22-3-19-6-12(22)20-16(18)21-13(6)28/h3-5,7-11,14-15,23-27H,1-2,17H2,(H,29,30)(H,31,32)(H3,18,20,21,28)/t4-,5+,7+,8+,9+,10+,11-,14+,15+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.02E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hamburg University Curated by ChEMBL					Assay Description Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting				Bioorg Med Chem 22: 6430-7 (2014) Article DOI: 10.1016/j.bmc.2014.09.038 BindingDB Entry DOI: 10.7270/Q2G73GC7
					More data for this Ligand-Target Pair
4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9 (Homo sapiens (Human))	BDBM50035295 (CHEMBL3343357) Show SMILES [Na+].C[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)n1cc(COP(O)(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)nn1 |r| Show InChI InChI=1S/C19H28N8O15P2.Na/c1-6-10(28)12(30)14(32)18(40-6)27-2-7(24-25-27)3-38-43(34,35)42-44(36,37)39-4-8-11(29)13(31)17(41-8)26-5-21-9-15(26)22-19(20)23-16(9)33;/h2,5-6,8,10-14,17-18,28-32H,3-4H2,1H3,(H,34,35)(H,36,37)(H3,20,22,23,33);/q;+1/p-1/t6-,8+,10+,11+,12+,13+,14-,17+,18-;/m0./s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.37E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hamburg University Curated by ChEMBL					Assay Description Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting				Bioorg Med Chem 22: 6430-7 (2014) Article DOI: 10.1016/j.bmc.2014.09.038 BindingDB Entry DOI: 10.7270/Q2G73GC7
					More data for this Ligand-Target Pair
4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9 (Homo sapiens (Human))	BDBM50035293 (CHEMBL3343359) Show SMILES [Na+].Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OCc2cn(nn2)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H28N8O16P2.Na/c20-19-22-15-9(16(34)23-19)21-5-26(15)17-13(32)11(30)8(42-17)4-40-45(37,38)43-44(35,36)39-3-6-1-27(25-24-6)18-14(33)12(31)10(29)7(2-28)41-18;/h1,5,7-8,10-14,17-18,28-33H,2-4H2,(H,35,36)(H,37,38)(H3,20,22,23,34);/q;+1/p-1/t7-,8-,10+,11-,12+,13-,14-,17-,18-;/m1./s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.86E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hamburg University Curated by ChEMBL					Assay Description Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting				Bioorg Med Chem 22: 6430-7 (2014) Article DOI: 10.1016/j.bmc.2014.09.038 BindingDB Entry DOI: 10.7270/Q2G73GC7
					More data for this Ligand-Target Pair
4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9 (Homo sapiens (Human))	BDBM50035294 (CHEMBL3343358) Show SMILES [Na+].C[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)n1cc(COP(O)(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)nn1 |r| Show InChI InChI=1S/C19H28N8O15P2.Na/c1-6-10(28)12(30)14(32)18(40-6)27-2-7(24-25-27)3-38-43(34,35)42-44(36,37)39-4-8-11(29)13(31)17(41-8)26-5-21-9-15(26)22-19(20)23-16(9)33;/h2,5-6,8,10-14,17-18,28-32H,3-4H2,1H3,(H,34,35)(H,36,37)(H3,20,22,23,33);/q;+1/p-1/t6-,8-,10+,11-,12+,13-,14-,17-,18-;/m1./s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hamburg University Curated by ChEMBL					Assay Description Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fucose preincubated for 30 mins by liquid scintillation counting				Bioorg Med Chem 22: 6430-7 (2014) Article DOI: 10.1016/j.bmc.2014.09.038 BindingDB Entry DOI: 10.7270/Q2G73GC7
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50385150 (CHEMBL2035650) Show SMILES FC(F)(F)CN1CCC(CC1)NC(=O)c1ccc(nc1)-c1ccccc1 Show InChI InChI=1S/C19H20F3N3O/c20-19(21,22)13-25-10-8-16(9-11-25)24-18(26)15-6-7-17(23-12-15)14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of HPGDS				Bioorg Med Chem Lett 22: 3795-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.004 BindingDB Entry DOI: 10.7270/Q28C9X82
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM509092 (S-(1-{2-[2-({(2S)-2-Amino-4-[{(1R)-1-[1-benzyl-4-(...) Show SMILES CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCOCCN1C(=O)CC(SC[C@H](N)C(O)=O)C1=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	0.271	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The motor domain of the human kinesin spindle protein KSP/Eg5 (tebu-bio/Cytoskeleton Inc, No. 027EG01-XL) was incubated in a concentration of 10 nM w...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30139
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM509099 (4-{[(1R)-2-({2-[(3-Aminopropyl) {(1R)-1-[1-benzyl-...) Show SMILES CC(C)(C)[C@@H](N(CCCN)C(=O)CSC[C@H](NC(=O)CCC(O)=O)C(O)=O)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.446	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The motor domain of the human kinesin spindle protein KSP/Eg5 (tebu-bio/Cytoskeleton Inc, No. 027EG01-XL) was incubated in a concentration of 10 nM w...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30139
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM509093 ((3R,7S)-7-Amino-17-{[(2R)-2-amino-2-carboxyethyl]s...) Show SMILES CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCOCCNC(=O)CC(SC[C@H](N)C(O)=O)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	0.457	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The motor domain of the human kinesin spindle protein KSP/Eg5 (tebu-bio/Cytoskeleton Inc, No. 027EG01-XL) was incubated in a concentration of 10 nM w...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30139
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM509097 ((2R,28R)-28-Amino-2-[({2-[(3-aminopropyl){(1R)-1-[...) Show SMILES CC(C)(C)[C@@H](N(CCCN)C(=O)CSC[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCNC(=O)CC(SC[C@H](N)C(O)=O)C(O)=O)C(O)=O)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The motor domain of the human kinesin spindle protein KSP/Eg5 (tebu-bio/Cytoskeleton Inc, No. 027EG01-XL) was incubated in a concentration of 10 nM w...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30139
					More data for this Ligand-Target Pair
Beta-secretase 1 [1-453] (Homo sapiens (Human))	BDBM16047 ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	4.5	22
Universite de Montreal at Succursale Centre-Ville					Assay Description Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ...				J Med Chem 48: 5175-90 (2005) Article DOI: 10.1021/jm050142+ BindingDB Entry DOI: 10.7270/Q2WM1BPC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM509095 (S-(2-{[2-({(2S)-2-Amino-4-[{(1R)-1-[1-benzyl-4-(2,...) Show SMILES CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCNC(=O)CSC[C@H](N)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	0.621	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The motor domain of the human kinesin spindle protein KSP/Eg5 (tebu-bio/Cytoskeleton Inc, No. 027EG01-XL) was incubated in a concentration of 10 nM w...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30139
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM509107 ((1R,4R,27R,33R)-1-Amino-32-(3-aminopropyl)-33-[1-b...) Show SMILES CC(C)(C)[C@@H](N(CCCN)C(=O)CSC[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CNC(=O)CC(SC[C@H](N)C(O)=O)C(O)=O)C(O)=O)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	0.827	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The motor domain of the human kinesin spindle protein KSP/Eg5 (tebu-bio/Cytoskeleton Inc, No. 027EG01-XL) was incubated in a concentration of 10 nM w...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30139
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM509113 (4-[(2-{[2-({(2S)-2-Amino-4-[{(1R)-1-[1-benzyl-4-(2...) Show SMILES CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCNC(=O)CNC(=O)C[C@H](SC[C@H](N)C(O)=O)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	0.944	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The motor domain of the human kinesin spindle protein KSP/Eg5 (tebu-bio/Cytoskeleton Inc, No. 027EG01-XL) was incubated in a concentration of 10 nM w...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30139
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM509102 (4-[(2-{[2-({(2S)-2-Amino-4-[{(1R)-1-[1-benzyl-4-(2...) Show SMILES CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCNC(=O)CNC(=O)C(CC(O)=O)SC[C@H](N)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	0.964	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The motor domain of the human kinesin spindle protein KSP/Eg5 (tebu-bio/Cytoskeleton Inc, No. 027EG01-XL) was incubated in a concentration of 10 nM w...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30139
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM509096 (N-(3-Aminopropyl)-N-{(1R)-1-[1-benzyl-4-(2,5-diflu...) Show SMILES CC(C)(C)[C@@H](N(CCCN)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.07	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The motor domain of the human kinesin spindle protein KSP/Eg5 (tebu-bio/Cytoskeleton Inc, No. 027EG01-XL) was incubated in a concentration of 10 nM w...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30139
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM509098 (S-{2-[(3-Aminopropyl){(1R)-1-[1-benzyl-4-(2,5-difl...) Show SMILES CC(C)(C)[C@@H](N(CCCN)C(=O)CSC[C@H](N)C(O)=O)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	1.11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The motor domain of the human kinesin spindle protein KSP/Eg5 (tebu-bio/Cytoskeleton Inc, No. 027EG01-XL) was incubated in a concentration of 10 nM w...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30139
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM509110 (N-{(2S)-2-Amino-4-[{(1R)-1-[1-benzyl-4-(2,5-difluo...) Show SMILES CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	1.26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The motor domain of the human kinesin spindle protein KSP/Eg5 (tebu-bio/Cytoskeleton Inc, No. 027EG01-XL) was incubated in a concentration of 10 nM w...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30139
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM509102 (4-[(2-{[2-({(2S)-2-Amino-4-[{(1R)-1-[1-benzyl-4-(2...) Show SMILES CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCNC(=O)CNC(=O)C(CC(O)=O)SC[C@H](N)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	1.48	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The motor domain of the human kinesin spindle protein KSP/Eg5 (tebu-bio/Cytoskeleton Inc, No. 027EG01-XL) was incubated in a concentration of 10 nM w...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30139
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM509107 ((1R,4R,27R,33R)-1-Amino-32-(3-aminopropyl)-33-[1-b...) Show SMILES CC(C)(C)[C@@H](N(CCCN)C(=O)CSC[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CNC(=O)CC(SC[C@H](N)C(O)=O)C(O)=O)C(O)=O)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The motor domain of the human kinesin spindle protein KSP/Eg5 (tebu-bio/Cytoskeleton Inc, No. 027EG01-XL) was incubated in a concentration of 10 nM w...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30139
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM509090 (4-[(2-{[2-({(2S)-2-Amino-4-[{(1R)-1-[1-benzyl-4-(2...) Show SMILES CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCNC(=O)CNC(=O)CC(SC[C@H](N)C(O)=O)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The motor domain of the human kinesin spindle protein KSP/Eg5 (tebu-bio/Cytoskeleton Inc, No. 027EG01-XL) was incubated in a concentration of 10 nM w...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30139
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM509091 (4-[(2-{[(2R)-2-({(2S)-2-Amino-4-[{(1R)-1-[1-benzyl...) Show SMILES CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)N[C@H](CNC(=O)CNC(=O)CC(SC[C@H](N)C(O)=O)C(O)=O)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	1.52	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The motor domain of the human kinesin spindle protein KSP/Eg5 (tebu-bio/Cytoskeleton Inc, No. 027EG01-XL) was incubated in a concentration of 10 nM w...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30139
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM509094 (2-{[(2R)-2-Amino-2-carboxyethyl]sulphanyl}-4-({(14...) Show SMILES CC(C)(C)[C@@H](N(CCCN)C(=O)CSCCC(=O)NCCNC(=O)CNC(=O)CC(SCC[C@H](N)C(O)=O)C(O)=O)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.78	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The motor domain of the human kinesin spindle protein KSP/Eg5 (tebu-bio/Cytoskeleton Inc, No. 027EG01-XL) was incubated in a concentration of 10 nM w...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30139
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM111911 (US8623901, 239) Show SMILES Cn1cc(cn1)-c1ccc(F)cc1Cc1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 Show InChI InChI=1S/C21H21FN6O2/c1-27-12-14(10-23-27)17-3-2-15(22)8-13(17)9-19-25-20-18(21(29)26-19)11-24-28(20)16-4-6-30-7-5-16/h2-3,8,10-12,16H,4-7,9H2,1H3,(H,25,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	0
Boehringer Ingelheim International GmbH US Patent					Assay Description The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...				US Patent US8623901 (2014) BindingDB Entry DOI: 10.7270/Q2Z036TP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
Broad Institute of Harvard and MIT					Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ...				ACS Chem Biol 11: 363-74 (2016) Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM509089 (S-[1-(2-{[2-({(2S)-2-Amino-4-[{(1R)-1-[1-benzyl-4-...) Show SMILES CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCNC(=O)CN1C(=O)CC(SC[C@H](N)C(O)=O)C1=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	2.01	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The motor domain of the human kinesin spindle protein KSP/Eg5 (tebu-bio/Cytoskeleton Inc, No. 027EG01-XL) was incubated in a concentration of 10 nM w...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30139
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM509102 (4-[(2-{[2-({(2S)-2-Amino-4-[{(1R)-1-[1-benzyl-4-(2...) Show SMILES CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCNC(=O)CNC(=O)C(CC(O)=O)SC[C@H](N)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	2.03	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The motor domain of the human kinesin spindle protein KSP/Eg5 (tebu-bio/Cytoskeleton Inc, No. 027EG01-XL) was incubated in a concentration of 10 nM w...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30139
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM509090 (4-[(2-{[2-({(2S)-2-Amino-4-[{(1R)-1-[1-benzyl-4-(2...) Show SMILES CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCNC(=O)CNC(=O)CC(SC[C@H](N)C(O)=O)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	2.16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The motor domain of the human kinesin spindle protein KSP/Eg5 (tebu-bio/Cytoskeleton Inc, No. 027EG01-XL) was incubated in a concentration of 10 nM w...				Citation and Details BindingDB Entry DOI: 10.7270/Q2N30139
					More data for this Ligand-Target Pair

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