Compile Data Set for Download or QSAR

Found 523 hits with Last Name = 'aoki' and Initial = 'y'   

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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088846 (CHEMBL353678 | N-{4-[2-(4-Phenyl-piperazin-1-yl)-e...) Show SMILES CC(=O)NCc1ccc(CCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C21H27N3O/c1-18(25)22-17-20-9-7-19(8-10-20)11-12-23-13-15-24(16-14-23)21-5-3-2-4-6-21/h2-10H,11-17H2,1H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088844 (4-{4-[4-(4-Phenyl-piperazin-1-yl)-butyl]-phenyl}-t...) Show SMILES Nc1nc(cs1)-c1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C23H28N4S/c24-23-25-22(18-28-23)20-11-9-19(10-12-20)6-4-5-13-26-14-16-27(17-15-26)21-7-2-1-3-8-21/h1-3,7-12,18H,4-6,13-17H2,(H2,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50086550 (4-Methyl-5-(2,2,4,4-tetramethyl-3-oxo-1,2,3,4-tetr...) Show SMILES Cc1cc(sc1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1)C#N Show InChI InChI=1S/C19H20N2OS/c1-11-8-13(10-20)23-16(11)12-6-7-15-14(9-12)18(2,3)17(22)19(4,5)21-15/h6-9,21H,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human progesterone receptor by competitive assay				J Med Chem 58: 4918-26 (2015) Article DOI: 10.1021/jm501758q BindingDB Entry DOI: 10.7270/Q2WM1G4V
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088839 (CHEMBL169702 | N-{4-[4-(4-Phenyl-piperazin-1-yl)-b...) Show SMILES CC(=O)NCc1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C23H31N3O/c1-20(27)24-19-22-12-10-21(11-13-22)7-5-6-14-25-15-17-26(18-16-25)23-8-3-2-4-9-23/h2-4,8-13H,5-7,14-19H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human trypsin.				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50088844 (4-{4-[4-(4-Phenyl-piperazin-1-yl)-butyl]-phenyl}-t...) Show SMILES Nc1nc(cs1)-c1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C23H28N4S/c24-23-25-22(18-28-23)20-11-9-19(10-12-20)6-4-5-13-26-14-16-27(17-15-26)21-7-2-1-3-8-21/h1-3,7-12,18H,4-6,13-17H2,(H2,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088839 (CHEMBL169702 | N-{4-[4-(4-Phenyl-piperazin-1-yl)-b...) Show SMILES CC(=O)NCc1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C23H31N3O/c1-20(27)24-19-22-12-10-21(11-13-22)7-5-6-14-25-15-17-26(18-16-25)23-8-3-2-4-9-23/h2-4,8-13H,5-7,14-19H2,1H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis				J Med Chem 58: 4918-26 (2015) Article DOI: 10.1021/jm501758q BindingDB Entry DOI: 10.7270/Q2WM1G4V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088841 (CHEMBL352617 | N-{4-[3-(4-Phenyl-piperazin-1-yl)-p...) Show SMILES CC(=O)NCc1ccc(CCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C22H29N3O/c1-19(26)23-18-21-11-9-20(10-12-21)6-5-13-24-14-16-25(17-15-24)22-7-3-2-4-8-22/h2-4,7-12H,5-6,13-18H2,1H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human Coagulation factor X.				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088844 (4-{4-[4-(4-Phenyl-piperazin-1-yl)-butyl]-phenyl}-t...) Show SMILES Nc1nc(cs1)-c1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C23H28N4S/c24-23-25-22(18-28-23)20-11-9-19(10-12-20)6-4-5-13-26-14-16-27(17-15-26)21-7-2-1-3-8-21/h1-3,7-12,18H,4-6,13-17H2,(H2,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of class C beta-lactamase derived from Enterobacter cloacae P99				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50091040 (CHEMBL3582119) Show SMILES CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1cccc2nccn12 Show InChI InChI=1S/C29H59O11P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-38-21-23(37-2)22-39-41(35,36)40-29-26(32)24(20-30)25(31)27(33)28(29)34/h23-34H,3-22H2,1-2H3,(H,35,36)/t23-,24-,25?,26?,27?,28?,29?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis				J Med Chem 58: 4918-26 (2015) Article DOI: 10.1021/jm501758q BindingDB Entry DOI: 10.7270/Q2WM1G4V
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50091046 (CHEMBL3582112) Show SMILES Cc1noc(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2CCCc12 |(2.54,-4.54,;3.47,-3.72,;4.98,-4.05,;5.76,-2.71,;4.73,-1.56,;4.98,-.35,;3.33,-2.19,;2.01,-1.4,;.66,-2.12,;-.68,-1.4,;-.68,.15,;-2.01,.93,;-3.37,.15,;-4.42,-.49,;-3.33,1.39,;-3.37,-1.4,;-4.43,-2.04,;-2.01,-2.12,;-.91,-2.7,;-3.09,-2.71,;.66,.93,;.98,2.44,;2.53,2.61,;3.18,1.19,;2.01,.15,)| Show InChI InChI=1S/C21H26N2O2/c1-11-17(12(2)25-23-11)15-10-16-18(14-9-7-8-13(14)15)22-21(5,6)19(24)20(16,3)4/h10,22H,7-9H2,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis				J Med Chem 58: 4918-26 (2015) Article DOI: 10.1021/jm501758q BindingDB Entry DOI: 10.7270/Q2WM1G4V
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-progesterone from cytosolic fraction of human recombinant progesterone-B receptor by scintillation counting analysis				J Med Chem 58: 4918-26 (2015) Article DOI: 10.1021/jm501758q BindingDB Entry DOI: 10.7270/Q2WM1G4V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50091048 (CHEMBL3582109) Show SMILES Cc1noc(C)c1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1 Show InChI InChI=1S/C18H22N2O2/c1-10-15(11(2)22-20-10)12-7-8-14-13(9-12)17(3,4)16(21)18(5,6)19-14/h7-9,19H,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis				J Med Chem 58: 4918-26 (2015) Article DOI: 10.1021/jm501758q BindingDB Entry DOI: 10.7270/Q2WM1G4V
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM43856 (4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...) Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13| Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center					Assay Description Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...				Chem Biol 9: 1119-28 (2002) Article DOI: 10.1016/S1074-5521(02)00240-5 BindingDB Entry DOI: 10.7270/Q2BV7F0C
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50091048 (CHEMBL3582109) Show SMILES Cc1noc(C)c1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1 Show InChI InChI=1S/C18H22N2O2/c1-10-15(11(2)22-20-10)12-7-8-14-13(9-12)17(3,4)16(21)18(5,6)19-14/h7-9,19H,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-progesterone from cytosolic fraction of human recombinant progesterone-B receptor by scintillation counting analysis				J Med Chem 58: 4918-26 (2015) Article DOI: 10.1021/jm501758q BindingDB Entry DOI: 10.7270/Q2WM1G4V
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50091043 (CHEMBL3582115) Show SMILES Cc1cnn(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2CCCc12 |(2.53,-4.52,;3.46,-3.71,;4.96,-4.03,;5.74,-2.7,;4.71,-1.55,;4.96,-.35,;3.32,-2.19,;2,-1.39,;.66,-2.11,;-.68,-1.39,;-.68,.15,;-2,.92,;-3.35,.15,;-4.41,-.49,;-3.32,1.38,;-3.35,-1.39,;-4.41,-2.03,;-2,-2.11,;-.91,-2.69,;-3.08,-2.71,;.66,.92,;.98,2.43,;2.53,2.6,;3.17,1.19,;2,.15,)| Show InChI InChI=1S/C30H58O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-38-21-23(37-2)22-39-30(36)40-29-26(33)24(20-31)25(32)27(34)28(29)35/h23-29,31-35H,3-22H2,1-2H3/t23-,24-,25?,26?,27?,28?,29?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis				J Med Chem 58: 4918-26 (2015) Article DOI: 10.1021/jm501758q BindingDB Entry DOI: 10.7270/Q2WM1G4V
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM43856 (4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...) Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13| Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	30	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center					Assay Description Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...				Chem Biol 9: 1119-28 (2002) Article DOI: 10.1016/S1074-5521(02)00240-5 BindingDB Entry DOI: 10.7270/Q2BV7F0C
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM43856 (4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...) Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13| Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center					Assay Description Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...				Chem Biol 9: 1119-28 (2002) Article DOI: 10.1016/S1074-5521(02)00240-5 BindingDB Entry DOI: 10.7270/Q2BV7F0C
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM43856 (4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...) Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13| Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center					Assay Description Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...				Chem Biol 9: 1119-28 (2002) Article DOI: 10.1016/S1074-5521(02)00240-5 BindingDB Entry DOI: 10.7270/Q2BV7F0C
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM43856 (4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...) Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13| Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center					Assay Description Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...				Chem Biol 9: 1119-28 (2002) Article DOI: 10.1016/S1074-5521(02)00240-5 BindingDB Entry DOI: 10.7270/Q2BV7F0C
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM43856 (4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...) Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13| Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center					Assay Description Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...				Chem Biol 9: 1119-28 (2002) Article DOI: 10.1016/S1074-5521(02)00240-5 BindingDB Entry DOI: 10.7270/Q2BV7F0C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088841 (CHEMBL352617 | N-{4-[3-(4-Phenyl-piperazin-1-yl)-p...) Show SMILES CC(=O)NCc1ccc(CCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C22H29N3O/c1-19(26)23-18-21-11-9-20(10-12-21)6-5-13-24-14-16-25(17-15-24)22-7-3-2-4-8-22/h2-4,7-12H,5-6,13-18H2,1H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50091036 (CHEMBL3582120) Show SMILES CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1cccn2nccc12 Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3/p+1/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis				J Med Chem 58: 4918-26 (2015) Article DOI: 10.1021/jm501758q BindingDB Entry DOI: 10.7270/Q2WM1G4V
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50091049 (CHEMBL3582125) Show SMILES CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1ccnc2ncccc12 Show InChI InChI=1S/C24H25N3O/c1-23(2)19-13-18(15-10-12-26-21-17(15)9-6-11-25-21)14-7-5-8-16(14)20(19)27-24(3,4)22(23)28/h6,9-13,27H,5,7-8H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis				J Med Chem 58: 4918-26 (2015) Article DOI: 10.1021/jm501758q BindingDB Entry DOI: 10.7270/Q2WM1G4V
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM50088844 (4-{4-[4-(4-Phenyl-piperazin-1-yl)-butyl]-phenyl}-t...) Show SMILES Nc1nc(cs1)-c1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C23H28N4S/c24-23-25-22(18-28-23)20-11-9-19(10-12-20)6-4-5-13-26-14-16-27(17-15-26)21-7-2-1-3-8-21/h1-3,7-12,18H,4-6,13-17H2,(H2,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of GC1 extended spectrum class C beta-lactamase				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM43856 (4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...) Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13| Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center					Assay Description Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...				Chem Biol 9: 1119-28 (2002) Article DOI: 10.1016/S1074-5521(02)00240-5 BindingDB Entry DOI: 10.7270/Q2BV7F0C
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM43856 (4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...) Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13| Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center					Assay Description Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...				Chem Biol 9: 1119-28 (2002) Article DOI: 10.1016/S1074-5521(02)00240-5 BindingDB Entry DOI: 10.7270/Q2BV7F0C
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50091034 (CHEMBL3582121) Show SMILES CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1cncc2nccn12 Show InChI InChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3/p+1/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis				J Med Chem 58: 4918-26 (2015) Article DOI: 10.1021/jm501758q BindingDB Entry DOI: 10.7270/Q2WM1G4V
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM50088839 (CHEMBL169702 | N-{4-[4-(4-Phenyl-piperazin-1-yl)-b...) Show SMILES CC(=O)NCc1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C23H31N3O/c1-20(27)24-19-22-12-10-21(11-13-22)7-5-6-14-25-15-17-26(18-16-25)23-8-3-2-4-9-23/h2-4,8-13H,5-7,14-19H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of GC1 extended spectrum class C beta-lactamase				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM50088839 (CHEMBL169702 | N-{4-[4-(4-Phenyl-piperazin-1-yl)-b...) Show SMILES CC(=O)NCc1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C23H31N3O/c1-20(27)24-19-22-12-10-21(11-13-22)7-5-6-14-25-15-17-26(18-16-25)23-8-3-2-4-9-23/h2-4,8-13H,5-7,14-19H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM96235 (4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...) Show SMILES CCOC(=O)c1oc2cccc(OCC(O)CNC(C)C)c2c1C Show InChI InChI=1S/C18H25NO5/c1-5-22-18(21)17-12(4)16-14(7-6-8-15(16)24-17)23-10-13(20)9-19-11(2)3/h6-8,11,13,19-20H,5,9-10H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center					Assay Description Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...				Chem Biol 9: 1119-28 (2002) Article DOI: 10.1016/S1074-5521(02)00240-5 BindingDB Entry DOI: 10.7270/Q2BV7F0C
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM43856 (4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...) Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13| Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center					Assay Description Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...				Chem Biol 9: 1119-28 (2002) Article DOI: 10.1016/S1074-5521(02)00240-5 BindingDB Entry DOI: 10.7270/Q2BV7F0C
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM43856 (4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...) Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13| Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center					Assay Description Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...				Chem Biol 9: 1119-28 (2002) Article DOI: 10.1016/S1074-5521(02)00240-5 BindingDB Entry DOI: 10.7270/Q2BV7F0C
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50091031 (CHEMBL3582122) Show SMILES CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1cccc2nncn12 Show InChI InChI=1S/C21H25NO2/c1-3-9-22-12-17-13(2)5-4-6-15(17)21-16-11-20(24)19(23)10-14(16)7-8-18(21)22/h4-6,10-11,18,21,23-24H,3,7-9,12H2,1-2H3/p+1/t18-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis				J Med Chem 58: 4918-26 (2015) Article DOI: 10.1021/jm501758q BindingDB Entry DOI: 10.7270/Q2WM1G4V
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50091044 (CHEMBL3582114) Show SMILES Cc1noc(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2OCOc12 |(2.56,-4.56,;3.49,-3.74,;5.01,-4.07,;5.79,-2.72,;4.75,-1.57,;5,-.35,;3.35,-2.21,;2.02,-1.41,;.67,-2.13,;-.68,-1.41,;-.68,.15,;-2.02,.93,;-3.38,.15,;-4.45,-.49,;-3.35,1.39,;-3.38,-1.41,;-4.45,-2.05,;-2.02,-2.13,;-.92,-2.72,;-3.1,-2.73,;.67,.93,;.99,2.45,;2.55,2.62,;3.19,1.2,;2.02,.15,)| Show InChI InChI=1S/C19H22N2O4/c1-9-13(10(2)25-21-9)11-7-12-14(16-15(11)23-8-24-16)20-19(5,6)17(22)18(12,3)4/h7,20H,8H2,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis				J Med Chem 58: 4918-26 (2015) Article DOI: 10.1021/jm501758q BindingDB Entry DOI: 10.7270/Q2WM1G4V
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50088846 (CHEMBL353678 | N-{4-[2-(4-Phenyl-piperazin-1-yl)-e...) Show SMILES CC(=O)NCc1ccc(CCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C21H27N3O/c1-18(25)22-17-20-9-7-19(8-10-20)11-12-23-13-15-24(16-14-23)21-5-3-2-4-6-21/h2-10H,11-17H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human trypsin.				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50091041 (CHEMBL3582116) Show SMILES Cc1ncn(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2CCCc12 |(4.97,-.35,;4.72,-1.55,;5.75,-2.7,;4.97,-4.04,;3.46,-3.71,;2.54,-4.53,;3.33,-2.19,;2,-1.4,;.66,-2.11,;-.68,-1.4,;-.68,.15,;-2,.93,;-3.36,.15,;-4.42,-.49,;-3.33,1.38,;-3.36,-1.4,;-4.42,-2.03,;-2,-2.11,;-.91,-2.7,;-3.08,-2.71,;.66,.93,;.98,2.44,;2.53,2.61,;3.17,1.19,;2,.15,)| Show InChI InChI=1S/C29H56O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36-21-23(35-2)22-37-29(34)38-28-25(31)20-24(30)26(32)27(28)33/h23-28,30-33H,3-22H2,1-2H3/t23-,24?,25?,26?,27?,28?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis				J Med Chem 58: 4918-26 (2015) Article DOI: 10.1021/jm501758q BindingDB Entry DOI: 10.7270/Q2WM1G4V
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM43856 (4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...) Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13| Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center					Assay Description Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...				Chem Biol 9: 1119-28 (2002) Article DOI: 10.1016/S1074-5521(02)00240-5 BindingDB Entry DOI: 10.7270/Q2BV7F0C
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM43856 (4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...) Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13| Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center					Assay Description Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...				Chem Biol 9: 1119-28 (2002) Article DOI: 10.1016/S1074-5521(02)00240-5 BindingDB Entry DOI: 10.7270/Q2BV7F0C
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM43856 (4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...) Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13| Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center					Assay Description Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...				Chem Biol 9: 1119-28 (2002) Article DOI: 10.1016/S1074-5521(02)00240-5 BindingDB Entry DOI: 10.7270/Q2BV7F0C
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM43854 (2-[(veratroylhydrazono)methyl]benzoic acid | 2-[[(...) Show SMILES COc1ccc(cc1OC)C(=O)NN=Cc1ccccc1C(O)=O |w:13.13| Show InChI InChI=1S/C17H16N2O5/c1-23-14-8-7-11(9-15(14)24-2)16(20)19-18-10-12-5-3-4-6-13(12)17(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center					Assay Description Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...				Chem Biol 9: 1119-28 (2002) Article DOI: 10.1016/S1074-5521(02)00240-5 BindingDB Entry DOI: 10.7270/Q2BV7F0C
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM43856 (4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...) Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13| Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase 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
Nippon Roche Research Center					Assay Description Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...				Chem Biol 9: 1119-28 (2002) Article DOI: 10.1016/S1074-5521(02)00240-5 BindingDB Entry DOI: 10.7270/Q2BV7F0C
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM43856 (4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...) Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13| Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase 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
Nippon Roche Research Center					Assay Description Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...				Chem Biol 9: 1119-28 (2002) Article DOI: 10.1016/S1074-5521(02)00240-5 BindingDB Entry DOI: 10.7270/Q2BV7F0C
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM43856 (4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...) Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13| Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center					Assay Description Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...				Chem Biol 9: 1119-28 (2002) Article DOI: 10.1016/S1074-5521(02)00240-5 BindingDB Entry DOI: 10.7270/Q2BV7F0C
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50091045 (CHEMBL3582113) Show SMILES Cc1noc(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2CCCCc12 |(2.38,-4.74,;3.3,-3.91,;4.82,-4.24,;5.6,-2.89,;4.56,-1.74,;4.81,-.52,;3.16,-2.38,;1.81,-1.6,;.47,-2.38,;-.85,-1.6,;-.85,,;-2.21,.72,;-3.55,,;-4.62,-.63,;-3.5,1.24,;-3.55,-1.6,;-4.63,-2.23,;-2.21,-2.38,;-1.12,-2.98,;-3.3,-2.97,;.47,.72,;.47,2.27,;1.81,3.06,;3.17,2.27,;3.17,.72,;1.81,,)| Show InChI InChI=1S/C22H28N2O2/c1-12-18(13(2)26-24-12)16-11-17-19(15-10-8-7-9-14(15)16)23-22(5,6)20(25)21(17,3)4/h11,23H,7-10H2,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis				J Med Chem 58: 4918-26 (2015) Article DOI: 10.1021/jm501758q BindingDB Entry DOI: 10.7270/Q2WM1G4V
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM43856 (4-ethoxy-N-[(6-fluoro-1,1-diketo-2,3-dihydrothioch...) Show SMILES CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13| Show InChI InChI=1S/C17H17FN2O5S2/c1-2-25-13-4-6-14(7-5-13)27(23,24)20-19-16-9-10-26(21,22)17-8-3-12(18)11-15(16)17/h3-8,11,20H,2,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center					Assay Description Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...				Chem Biol 9: 1119-28 (2002) Article DOI: 10.1016/S1074-5521(02)00240-5 BindingDB Entry DOI: 10.7270/Q2BV7F0C
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM50088846 (CHEMBL353678 | N-{4-[2-(4-Phenyl-piperazin-1-yl)-e...) Show SMILES CC(=O)NCc1ccc(CCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C21H27N3O/c1-18(25)22-17-20-9-7-19(8-10-20)11-12-23-13-15-24(16-14-23)21-5-3-2-4-6-21/h2-10H,11-17H2,1H3,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50088845 (CHEMBL170307 | N-[4-(4-Phenyl-piperazin-1-ylmethyl...) Show SMILES CC(=O)NCc1ccc(CN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C20H25N3O/c1-17(24)21-15-18-7-9-19(10-8-18)16-22-11-13-23(14-12-22)20-5-3-2-4-6-20/h2-10H,11-16H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 10: 875-9 (2000) BindingDB Entry DOI: 10.7270/Q2CZ36C7
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM96235 (4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...) Show SMILES CCOC(=O)c1oc2cccc(OCC(O)CNC(C)C)c2c1C Show InChI InChI=1S/C18H25NO5/c1-5-22-18(21)17-12(4)16-14(7-6-8-15(16)24-17)23-10-13(20)9-19-11(2)3/h6-8,11,13,19-20H,5,9-10H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center					Assay Description Inhibition activity against C. albicans Nmt and human Nmt as assessed by IC50 using myristoyl-CoA (0.5 uM) and peptide substrate GLTISKLFRR-NH2 (0.5 ...				Chem Biol 9: 1119-28 (2002) Article DOI: 10.1016/S1074-5521(02)00240-5 BindingDB Entry DOI: 10.7270/Q2BV7F0C
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50091054 (CHEMBL3582111) Show SMILES COc1cc2NC(C)(C)C(=O)C(C)(C)c2cc1-c1c(C)noc1C |(-4.02,-2.78,;-4.02,-1.54,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;3.72,-.13,;2.64,-2,;2.67,.77,;3.74,1.39,;1.33,1.54,;.25,2.13,;2.42,2.13,;,.77,;-1.33,1.54,;-2.69,.77,;-4.02,1.55,;-4.16,3.07,;-3.24,3.89,;-5.67,3.39,;-6.44,2.05,;-5.41,.91,;-5.66,-.3,)| Show InChI InChI=1S/C19H24N2O3/c1-10-16(11(2)24-21-10)12-8-13-14(9-15(12)23-7)20-19(5,6)17(22)18(13,3)4/h8-9,20H,1-7H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	146	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-dexamethasone from cytosolic fraction of human recombinant glucocorticoid receptor by scintillation counting analysis				J Med Chem 58: 4918-26 (2015) Article DOI: 10.1021/jm501758q BindingDB Entry DOI: 10.7270/Q2WM1G4V
					More data for this Ligand-Target Pair

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