Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'tsai' and Initial = 'yc'   

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
Mu-type opioid receptor (GUINEA PIG)	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity of the compound against mu opioid receptor was determined in brain membrane preparations from male Hartley guinea-pigs				Bioorg Med Chem Lett 8: 1813-8 (1999) BindingDB Entry DOI: 10.7270/Q2K073D5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50070947 (2-ethyl-1'-methylspiro[2,3-dihydrobenzo[b]furan-3,...) Show SMILES CCC1Oc2c(cccc2O)C11CCN(C)CC1 Show InChI InChI=1S/C15H21NO2/c1-3-13-15(7-9-16(2)10-8-15)11-5-4-6-12(17)14(11)18-13/h4-6,13,17H,3,7-10H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity of the compound against mu opioid receptor was determined in brain membrane preparations from male Hartley guinea-pigs				Bioorg Med Chem Lett 8: 1813-8 (1999) BindingDB Entry DOI: 10.7270/Q2K073D5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50070948 (1',2-dimethylspiro[2,3-dihydrobenzo[b]furan-3,4'-(...) Show SMILES CC1Oc2c(cccc2O)C11CCN(C)CC1 Show InChI InChI=1S/C14H19NO2/c1-10-14(6-8-15(2)9-7-14)11-4-3-5-12(16)13(11)17-10/h3-5,10,16H,6-9H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity of the compound against mu opioid receptor was determined in brain membrane preparations from male Hartley guinea-pigs				Bioorg Med Chem Lett 8: 1813-8 (1999) BindingDB Entry DOI: 10.7270/Q2K073D5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50026752 (1-Methyl-4-phenyl-piperidine-4-carboxylic acid eth...) Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccccc1 Show InChI InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	451	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity of the compound against mu opioid receptor was determined in brain membrane preparations from male Hartley guinea-pigs				Bioorg Med Chem Lett 8: 1813-8 (1999) BindingDB Entry DOI: 10.7270/Q2K073D5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50070946 (1',3'-dimethylspiro[2,3-dihydrobenzo[b]furan-3,4'-...) Show SMILES CC1CN(C)CCC11COc2c1cccc2O Show InChI InChI=1S/C14H19NO2/c1-10-8-15(2)7-6-14(10)9-17-13-11(14)4-3-5-12(13)16/h3-5,10,16H,6-9H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	505	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 was determined in brain membrane preparations from male Hartley guinea-pigs				Bioorg Med Chem Lett 8: 1813-8 (1999) BindingDB Entry DOI: 10.7270/Q2K073D5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50070946 (1',3'-dimethylspiro[2,3-dihydrobenzo[b]furan-3,4'-...) Show SMILES CC1CN(C)CCC11COc2c1cccc2O Show InChI InChI=1S/C14H19NO2/c1-10-8-15(2)7-6-14(10)9-17-13-11(14)4-3-5-12(13)16/h3-5,10,16H,6-9H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	505	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity of the compound against Opioid receptor kappa 1 was determined in brain membrane preparations from male Hartley guinea-pigs				Bioorg Med Chem Lett 8: 1813-8 (1999) BindingDB Entry DOI: 10.7270/Q2K073D5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity of the compound against Opioid receptor delta 1 was determined in brain membrane preparations from male Hartley guinea-pigs				Bioorg Med Chem Lett 8: 1813-8 (1999) BindingDB Entry DOI: 10.7270/Q2K073D5
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50286878 (Butyl-carbamic acid 2'-hydroxy-[1,1']binaphthaleny...) Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12 |(-5.4,-.57,;-4.07,-1.34,;-2.73,-.57,;-1.4,-1.35,;-.06,-.57,;1.27,-1.35,;1.27,-2.89,;2.61,-.58,;3.94,-1.35,;3.94,-2.89,;5.28,-3.66,;6.6,-2.89,;7.93,-3.66,;9.28,-2.89,;9.28,-1.35,;7.95,-.57,;6.6,-1.35,;5.28,-.58,;5.28,.96,;6.6,1.74,;7.93,.97,;6.6,3.28,;5.25,4.05,;3.94,3.26,;2.59,4.03,;1.27,3.26,;1.27,1.72,;2.59,.95,;3.94,1.72,)| Show InChI InChI=1S/C25H23NO3/c1-2-3-16-26-25(28)29-22-15-13-18-9-5-7-11-20(18)24(22)23-19-10-6-4-8-17(19)12-14-21(23)27/h4-15,27H,2-3,16H2,1H3,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 43-46 (1996) Article DOI: 10.1016/0960-894X(95)00549-9 BindingDB Entry DOI: 10.7270/Q2RV0NPW
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50286878 (Butyl-carbamic acid 2'-hydroxy-[1,1']binaphthaleny...) Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12 |(-5.4,-.57,;-4.07,-1.34,;-2.73,-.57,;-1.4,-1.35,;-.06,-.57,;1.27,-1.35,;1.27,-2.89,;2.61,-.58,;3.94,-1.35,;3.94,-2.89,;5.28,-3.66,;6.6,-2.89,;7.93,-3.66,;9.28,-2.89,;9.28,-1.35,;7.95,-.57,;6.6,-1.35,;5.28,-.58,;5.28,.96,;6.6,1.74,;7.93,.97,;6.6,3.28,;5.25,4.05,;3.94,3.26,;2.59,4.03,;1.27,3.26,;1.27,1.72,;2.59,.95,;3.94,1.72,)| Show InChI InChI=1S/C25H23NO3/c1-2-3-16-26-25(28)29-22-15-13-18-9-5-7-11-20(18)24(22)23-19-10-6-4-8-17(19)12-14-21(23)27/h4-15,27H,2-3,16H2,1H3,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dissociation constant of the compound (KI) for the Pancreatic cholesterol esterase-catalyzed hydrolysis of 4-nitrophenyl butyrate				Bioorg Med Chem Lett 6: 43-46 (1996) Article DOI: 10.1016/0960-894X(95)00549-9 BindingDB Entry DOI: 10.7270/Q2RV0NPW
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50286878 (Butyl-carbamic acid 2'-hydroxy-[1,1']binaphthaleny...) Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12 |(-5.4,-.57,;-4.07,-1.34,;-2.73,-.57,;-1.4,-1.35,;-.06,-.57,;1.27,-1.35,;1.27,-2.89,;2.61,-.58,;3.94,-1.35,;3.94,-2.89,;5.28,-3.66,;6.6,-2.89,;7.93,-3.66,;9.28,-2.89,;9.28,-1.35,;7.95,-.57,;6.6,-1.35,;5.28,-.58,;5.28,.96,;6.6,1.74,;7.93,.97,;6.6,3.28,;5.25,4.05,;3.94,3.26,;2.59,4.03,;1.27,3.26,;1.27,1.72,;2.59,.95,;3.94,1.72,)| Show InChI InChI=1S/C25H23NO3/c1-2-3-16-26-25(28)29-22-15-13-18-9-5-7-11-20(18)24(22)23-19-10-6-4-8-17(19)12-14-21(23)27/h4-15,27H,2-3,16H2,1H3,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 43-46 (1996) Article DOI: 10.1016/0960-894X(95)00549-9 BindingDB Entry DOI: 10.7270/Q2RV0NPW
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50070947 (2-ethyl-1'-methylspiro[2,3-dihydrobenzo[b]furan-3,...) Show SMILES CCC1Oc2c(cccc2O)C11CCN(C)CC1 Show InChI InChI=1S/C15H21NO2/c1-3-13-15(7-9-16(2)10-8-15)11-5-4-6-12(17)14(11)18-13/h4-6,13,17H,3,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	853	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity of the compound against Opioid receptor delta 1 was determined in brain membrane preparations from male Hartley guinea-pigs				Bioorg Med Chem Lett 8: 1813-8 (1999) BindingDB Entry DOI: 10.7270/Q2K073D5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50070946 (1',3'-dimethylspiro[2,3-dihydrobenzo[b]furan-3,4'-...) Show SMILES CC1CN(C)CCC11COc2c1cccc2O Show InChI InChI=1S/C14H19NO2/c1-10-8-15(2)7-6-14(10)9-17-13-11(14)4-3-5-12(13)16/h3-5,10,16H,6-9H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity against mu opioid receptor was determined in brain membrane preparations from male Hartley guinea-pigs				Bioorg Med Chem Lett 8: 1813-8 (1999) BindingDB Entry DOI: 10.7270/Q2K073D5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50070946 (1',3'-dimethylspiro[2,3-dihydrobenzo[b]furan-3,4'-...) Show SMILES CC1CN(C)CCC11COc2c1cccc2O Show InChI InChI=1S/C14H19NO2/c1-10-8-15(2)7-6-14(10)9-17-13-11(14)4-3-5-12(13)16/h3-5,10,16H,6-9H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity of the compound against mu opioid receptor was determined in brain membrane preparations from male Hartley guinea-pigs				Bioorg Med Chem Lett 8: 1813-8 (1999) BindingDB Entry DOI: 10.7270/Q2K073D5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50070949 (1'-methylspiro[2,3-dihydrobenzo[b]furan-3,4'-(hexa...) Show SMILES CN1CCC2(COc3c2cccc3O)CC1 Show InChI InChI=1S/C13H17NO2/c1-14-7-5-13(6-8-14)9-16-12-10(13)3-2-4-11(12)15/h2-4,15H,5-9H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity of the compound against mu opioid receptor was determined in brain membrane preparations from male Hartley guinea-pigs				Bioorg Med Chem Lett 8: 1813-8 (1999) BindingDB Entry DOI: 10.7270/Q2K073D5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity of the compound against Opioid receptor kappa 1 was determined in brain membrane preparations from male Hartley guinea-pigs				Bioorg Med Chem Lett 8: 1813-8 (1999) BindingDB Entry DOI: 10.7270/Q2K073D5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50070948 (1',2-dimethylspiro[2,3-dihydrobenzo[b]furan-3,4'-(...) Show SMILES CC1Oc2c(cccc2O)C11CCN(C)CC1 Show InChI InChI=1S/C14H19NO2/c1-10-14(6-8-15(2)9-7-14)11-4-3-5-12(16)13(11)17-10/h3-5,10,16H,6-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity of the compound against Opioid receptor delta 1 was determined in brain membrane preparations from male Hartley guinea-pigs				Bioorg Med Chem Lett 8: 1813-8 (1999) BindingDB Entry DOI: 10.7270/Q2K073D5
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50286880 (Butyric acid 2'-butylcarbamoyloxy-[1,1']binaphthal...) Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)CCC)ccc2ccccc12 |(-5.23,-.68,;-3.9,-1.45,;-2.56,-.68,;-1.23,-1.47,;.12,-.68,;1.45,-1.47,;1.45,-3.01,;2.78,-.7,;4.11,-1.47,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,;5.44,-.7,;5.44,.84,;6.77,1.63,;8.12,.86,;9.45,1.63,;9.43,3.17,;10.79,.86,;12.12,1.65,;13.45,.88,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,)| Show InChI InChI=1S/C29H29NO4/c1-3-5-19-30-29(32)34-25-18-16-21-12-7-9-14-23(21)28(25)27-22-13-8-6-11-20(22)15-17-24(27)33-26(31)10-4-2/h6-9,11-18H,3-5,10,19H2,1-2H3,(H,30,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 43-46 (1996) Article DOI: 10.1016/0960-894X(95)00549-9 BindingDB Entry DOI: 10.7270/Q2RV0NPW
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50286880 (Butyric acid 2'-butylcarbamoyloxy-[1,1']binaphthal...) Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)CCC)ccc2ccccc12 |(-5.23,-.68,;-3.9,-1.45,;-2.56,-.68,;-1.23,-1.47,;.12,-.68,;1.45,-1.47,;1.45,-3.01,;2.78,-.7,;4.11,-1.47,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,;5.44,-.7,;5.44,.84,;6.77,1.63,;8.12,.86,;9.45,1.63,;9.43,3.17,;10.79,.86,;12.12,1.65,;13.45,.88,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,)| Show InChI InChI=1S/C29H29NO4/c1-3-5-19-30-29(32)34-25-18-16-21-12-7-9-14-23(21)28(25)27-22-13-8-6-11-20(22)15-17-24(27)33-26(31)10-4-2/h6-9,11-18H,3-5,10,19H2,1-2H3,(H,30,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dissociation constant of the compound (KI) for the Pancreatic cholesterol esterase-catalyzed hydrolysis of 4-nitrophenyl butyrate				Bioorg Med Chem Lett 6: 43-46 (1996) Article DOI: 10.1016/0960-894X(95)00549-9 BindingDB Entry DOI: 10.7270/Q2RV0NPW
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50286880 (Butyric acid 2'-butylcarbamoyloxy-[1,1']binaphthal...) Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)CCC)ccc2ccccc12 |(-5.23,-.68,;-3.9,-1.45,;-2.56,-.68,;-1.23,-1.47,;.12,-.68,;1.45,-1.47,;1.45,-3.01,;2.78,-.7,;4.11,-1.47,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,;5.44,-.7,;5.44,.84,;6.77,1.63,;8.12,.86,;9.45,1.63,;9.43,3.17,;10.79,.86,;12.12,1.65,;13.45,.88,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,)| Show InChI InChI=1S/C29H29NO4/c1-3-5-19-30-29(32)34-25-18-16-21-12-7-9-14-23(21)28(25)27-22-13-8-6-11-20(22)15-17-24(27)33-26(31)10-4-2/h6-9,11-18H,3-5,10,19H2,1-2H3,(H,30,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 43-46 (1996) Article DOI: 10.1016/0960-894X(95)00549-9 BindingDB Entry DOI: 10.7270/Q2RV0NPW
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50286879 (Butyl-carbamic acid 2'-butylcarbamoyloxy-[1,1']bin...) Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)NCCCC)ccc2ccccc12 |(16.13,.89,;14.79,1.65,;13.46,.88,;12.12,1.65,;10.79,.86,;9.45,1.63,;9.43,3.17,;8.12,.86,;6.77,1.63,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,;5.44,.84,;5.44,-.7,;4.11,-1.47,;2.78,-.7,;1.45,-1.47,;1.45,-3.01,;.12,-.68,;-1.23,-1.47,;-2.56,-.68,;-3.9,-1.45,;-5.23,-.68,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,)| Show InChI InChI=1S/C30H32N2O4/c1-3-5-19-31-29(33)35-25-17-15-21-11-7-9-13-23(21)27(25)28-24-14-10-8-12-22(24)16-18-26(28)36-30(34)32-20-6-4-2/h7-18H,3-6,19-20H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 43-46 (1996) Article DOI: 10.1016/0960-894X(95)00549-9 BindingDB Entry DOI: 10.7270/Q2RV0NPW
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50286879 (Butyl-carbamic acid 2'-butylcarbamoyloxy-[1,1']bin...) Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)NCCCC)ccc2ccccc12 |(16.13,.89,;14.79,1.65,;13.46,.88,;12.12,1.65,;10.79,.86,;9.45,1.63,;9.43,3.17,;8.12,.86,;6.77,1.63,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,;5.44,.84,;5.44,-.7,;4.11,-1.47,;2.78,-.7,;1.45,-1.47,;1.45,-3.01,;.12,-.68,;-1.23,-1.47,;-2.56,-.68,;-3.9,-1.45,;-5.23,-.68,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,)| Show InChI InChI=1S/C30H32N2O4/c1-3-5-19-31-29(33)35-25-17-15-21-11-7-9-13-23(21)27(25)28-24-14-10-8-12-22(24)16-18-26(28)36-30(34)32-20-6-4-2/h7-18H,3-6,19-20H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 43-46 (1996) Article DOI: 10.1016/0960-894X(95)00549-9 BindingDB Entry DOI: 10.7270/Q2RV0NPW
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50286879 (Butyl-carbamic acid 2'-butylcarbamoyloxy-[1,1']bin...) Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)NCCCC)ccc2ccccc12 |(16.13,.89,;14.79,1.65,;13.46,.88,;12.12,1.65,;10.79,.86,;9.45,1.63,;9.43,3.17,;8.12,.86,;6.77,1.63,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,;5.44,.84,;5.44,-.7,;4.11,-1.47,;2.78,-.7,;1.45,-1.47,;1.45,-3.01,;.12,-.68,;-1.23,-1.47,;-2.56,-.68,;-3.9,-1.45,;-5.23,-.68,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,)| Show InChI InChI=1S/C30H32N2O4/c1-3-5-19-31-29(33)35-25-17-15-21-11-7-9-13-23(21)27(25)28-24-14-10-8-12-22(24)16-18-26(28)36-30(34)32-20-6-4-2/h7-18H,3-6,19-20H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 43-46 (1996) Article DOI: 10.1016/0960-894X(95)00549-9 BindingDB Entry DOI: 10.7270/Q2RV0NPW
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50070947 (2-ethyl-1'-methylspiro[2,3-dihydrobenzo[b]furan-3,...) Show SMILES CCC1Oc2c(cccc2O)C11CCN(C)CC1 Show InChI InChI=1S/C15H21NO2/c1-3-13-15(7-9-16(2)10-8-15)11-5-4-6-12(17)14(11)18-13/h4-6,13,17H,3,7-10H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity of the compound against Opioid receptor kappa 1 was determined in brain membrane preparations from male Hartley guinea-pigs				Bioorg Med Chem Lett 8: 1813-8 (1999) BindingDB Entry DOI: 10.7270/Q2K073D5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50026752 (1-Methyl-4-phenyl-piperidine-4-carboxylic acid eth...) Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccccc1 Show InChI InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity of the compound against Opioid receptor kappa 1 was determined in brain membrane preparations from male Hartley guinea-pigs				Bioorg Med Chem Lett 8: 1813-8 (1999) BindingDB Entry DOI: 10.7270/Q2K073D5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50070948 (1',2-dimethylspiro[2,3-dihydrobenzo[b]furan-3,4'-(...) Show SMILES CC1Oc2c(cccc2O)C11CCN(C)CC1 Show InChI InChI=1S/C14H19NO2/c1-10-14(6-8-15(2)9-7-14)11-4-3-5-12(16)13(11)17-10/h3-5,10,16H,6-9H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity of the compound against Opioid receptor kappa 1 was determined in brain membrane preparations from male Hartley guinea-pigs				Bioorg Med Chem Lett 8: 1813-8 (1999) BindingDB Entry DOI: 10.7270/Q2K073D5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50070949 (1'-methylspiro[2,3-dihydrobenzo[b]furan-3,4'-(hexa...) Show SMILES CN1CCC2(COc3c2cccc3O)CC1 Show InChI InChI=1S/C13H17NO2/c1-14-7-5-13(6-8-14)9-16-12-10(13)3-2-4-11(12)15/h2-4,15H,5-9H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity of the compound against Opioid receptor kappa 1 was determined in brain membrane preparations from male Hartley guinea-pigs				Bioorg Med Chem Lett 8: 1813-8 (1999) BindingDB Entry DOI: 10.7270/Q2K073D5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50070949 (1'-methylspiro[2,3-dihydrobenzo[b]furan-3,4'-(hexa...) Show SMILES CN1CCC2(COc3c2cccc3O)CC1 Show InChI InChI=1S/C13H17NO2/c1-14-7-5-13(6-8-14)9-16-12-10(13)3-2-4-11(12)15/h2-4,15H,5-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity of the compound against Opioid receptor delta 1 was determined in brain membrane preparations from male Hartley guinea-pigs				Bioorg Med Chem Lett 8: 1813-8 (1999) BindingDB Entry DOI: 10.7270/Q2K073D5
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50428362 (15-O-Acetylganolucidate A | CHEMBL2331733) Show SMILES C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 |r,c:20| Show InChI InChI=1S/C32H46O7/c1-17(13-20(34)14-18(2)28(37)38)22-15-26(39-19(3)33)32(8)21-9-10-24-29(4,5)25(36)11-12-30(24,6)27(21)23(35)16-31(22,32)7/h17-18,22,24,26H,9-16H2,1-8H3,(H,37,38)/t17-,18?,22-,24+,26+,30+,31-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reaction analysis				J Nat Prod 76: 489-94 (2013) Article DOI: 10.1021/np300443p BindingDB Entry DOI: 10.7270/Q2PG1T1D
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50428365 (CHEMBL2331728) Show SMILES C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O |r,c:15| Show InChI InChI=1S/C30H42O5/c1-17(9-8-10-18(2)26(34)35)19-11-14-29(6)25-20(31)15-22-27(3,4)23(33)12-13-28(22,5)24(25)21(32)16-30(19,29)7/h10,17,19,22H,8-9,11-16H2,1-7H3,(H,34,35)/b18-10+/t17-,19-,22+,28+,29+,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reaction analysis				J Nat Prod 76: 489-94 (2013) Article DOI: 10.1021/np300443p BindingDB Entry DOI: 10.7270/Q2PG1T1D
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50428366 (CHEMBL2203598) Show SMILES C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C([C@H](O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O |r,c:15| Show InChI InChI=1S/C30H44O5/c1-17(9-8-10-18(2)26(34)35)19-11-14-29(6)25-20(31)15-22-27(3,4)23(33)12-13-28(22,5)24(25)21(32)16-30(19,29)7/h10,17,19,21-22,32H,8-9,11-16H2,1-7H3,(H,34,35)/b18-10+/t17-,19-,21-,22+,28+,29+,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reaction analysis				J Nat Prod 76: 489-94 (2013) Article DOI: 10.1021/np300443p BindingDB Entry DOI: 10.7270/Q2PG1T1D
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50428364 (CHEMBL2331730) Show SMILES CCOC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C(=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O |r,c:19| Show InChI InChI=1S/C32H42O8/c1-9-40-28(39)17(3)13-18(33)12-16(2)19-14-23(36)32(8)24-20(34)15-21-29(4,5)22(35)10-11-30(21,6)25(24)26(37)27(38)31(19,32)7/h16-17,19,21H,9-15H2,1-8H3/t16-,17?,19-,21+,30+,31+,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reaction analysis				J Nat Prod 76: 489-94 (2013) Article DOI: 10.1021/np300443p BindingDB Entry DOI: 10.7270/Q2PG1T1D
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50428363 (CHEMBL2331729) Show SMILES COC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C(=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O |r,c:18| Show InChI InChI=1S/C31H40O8/c1-15(11-17(32)12-16(2)27(38)39-8)18-13-22(35)31(7)23-19(33)14-20-28(3,4)21(34)9-10-29(20,5)24(23)25(36)26(37)30(18,31)6/h15-16,18,20H,9-14H2,1-8H3/t15-,16?,18-,20+,29+,30+,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reaction analysis				J Nat Prod 76: 489-94 (2013) Article DOI: 10.1021/np300443p BindingDB Entry DOI: 10.7270/Q2PG1T1D
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50428361 (CHEMBL2331731 | Ethyl Lucidenate A) Show SMILES CCOC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O |r,c:15| Show InChI InChI=1S/C29H42O6/c1-8-35-23(34)10-9-16(2)17-13-22(33)29(7)25-18(30)14-20-26(3,4)21(32)11-12-27(20,5)24(25)19(31)15-28(17,29)6/h16-18,20,30H,8-15H2,1-7H3/t16-,17-,18+,20+,27+,28-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reaction analysis				J Nat Prod 76: 489-94 (2013) Article DOI: 10.1021/np300443p BindingDB Entry DOI: 10.7270/Q2PG1T1D
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reaction analysis				J Nat Prod 76: 489-94 (2013) Article DOI: 10.1021/np300443p BindingDB Entry DOI: 10.7270/Q2PG1T1D
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50428360 (CHEMBL2331732 | Ethyl Lucidenate F) Show SMILES CCOC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O |r,c:15| Show InChI InChI=1S/C29H40O6/c1-8-35-23(34)10-9-16(2)17-13-22(33)29(7)25-18(30)14-20-26(3,4)21(32)11-12-27(20,5)24(25)19(31)15-28(17,29)6/h16-17,20H,8-15H2,1-7H3/t16-,17-,20+,27+,28-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reaction analysis				J Nat Prod 76: 489-94 (2013) Article DOI: 10.1021/np300443p BindingDB Entry DOI: 10.7270/Q2PG1T1D
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50428359 (CHEMBL2331734) Show SMILES CC(CC(=O)C[C@@H](C)C1=CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(O)=O |r,c:14,t:8| Show InChI InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h12,15-16,19,21,32H,8-11,13-14H2,1-7H3,(H,36,37)/t15-,16?,19+,21+,28+,29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reaction analysis				J Nat Prod 76: 489-94 (2013) Article DOI: 10.1021/np300443p BindingDB Entry DOI: 10.7270/Q2PG1T1D
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50428358 (CHEMBL2331735) Show SMILES COCC1(O)OC(=O)C=C1C |c:8| Show InChI InChI=1S/C7H10O4/c1-5-3-6(8)11-7(5,9)4-10-2/h3,9H,4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reaction analysis				J Nat Prod 76: 489-94 (2013) Article DOI: 10.1021/np300443p BindingDB Entry DOI: 10.7270/Q2PG1T1D
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50428357 (CHEMBL2331727) Show SMILES COc1cc(CCC(O)=O)oc(=O)c1 Show InChI InChI=1S/C9H10O5/c1-13-7-4-6(2-3-8(10)11)14-9(12)5-7/h4-5H,2-3H2,1H3,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reaction analysis				J Nat Prod 76: 489-94 (2013) Article DOI: 10.1021/np300443p BindingDB Entry DOI: 10.7270/Q2PG1T1D
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50286879 (Butyl-carbamic acid 2'-butylcarbamoyloxy-[1,1']bin...) Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)NCCCC)ccc2ccccc12 |(16.13,.89,;14.79,1.65,;13.46,.88,;12.12,1.65,;10.79,.86,;9.45,1.63,;9.43,3.17,;8.12,.86,;6.77,1.63,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,;5.44,.84,;5.44,-.7,;4.11,-1.47,;2.78,-.7,;1.45,-1.47,;1.45,-3.01,;.12,-.68,;-1.23,-1.47,;-2.56,-.68,;-3.9,-1.45,;-5.23,-.68,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,)| Show InChI InChI=1S/C30H32N2O4/c1-3-5-19-31-29(33)35-25-17-15-21-11-7-9-13-23(21)27(25)28-24-14-10-8-12-22(24)16-18-26(28)36-30(34)32-20-6-4-2/h7-18H,3-6,19-20H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	n/a	4.00E+3	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dissociation constant of the compound (KI) for the Pancreatic cholesterol esterase-catalyzed hydrolysis of 4-nitrophenyl butyrate				Bioorg Med Chem Lett 6: 43-46 (1996) Article DOI: 10.1016/0960-894X(95)00549-9 BindingDB Entry DOI: 10.7270/Q2RV0NPW
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50286880 (Butyric acid 2'-butylcarbamoyloxy-[1,1']binaphthal...) Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)CCC)ccc2ccccc12 |(-5.23,-.68,;-3.9,-1.45,;-2.56,-.68,;-1.23,-1.47,;.12,-.68,;1.45,-1.47,;1.45,-3.01,;2.78,-.7,;4.11,-1.47,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,;5.44,-.7,;5.44,.84,;6.77,1.63,;8.12,.86,;9.45,1.63,;9.43,3.17,;10.79,.86,;12.12,1.65,;13.45,.88,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,)| Show InChI InChI=1S/C29H29NO4/c1-3-5-19-30-29(32)34-25-18-16-21-12-7-9-14-23(21)28(25)27-22-13-8-6-11-20(22)15-17-24(27)33-26(31)10-4-2/h6-9,11-18H,3-5,10,19H2,1-2H3,(H,30,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	n/a	n/a	n/a	n/a	6.00E+3	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 43-46 (1996) Article DOI: 10.1016/0960-894X(95)00549-9 BindingDB Entry DOI: 10.7270/Q2RV0NPW
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50286880 (Butyric acid 2'-butylcarbamoyloxy-[1,1']binaphthal...) Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)CCC)ccc2ccccc12 |(-5.23,-.68,;-3.9,-1.45,;-2.56,-.68,;-1.23,-1.47,;.12,-.68,;1.45,-1.47,;1.45,-3.01,;2.78,-.7,;4.11,-1.47,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,;5.44,-.7,;5.44,.84,;6.77,1.63,;8.12,.86,;9.45,1.63,;9.43,3.17,;10.79,.86,;12.12,1.65,;13.45,.88,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,)| Show InChI InChI=1S/C29H29NO4/c1-3-5-19-30-29(32)34-25-18-16-21-12-7-9-14-23(21)28(25)27-22-13-8-6-11-20(22)15-17-24(27)33-26(31)10-4-2/h6-9,11-18H,3-5,10,19H2,1-2H3,(H,30,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	n/a	n/a	n/a	n/a	6.00E+3	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 43-46 (1996) Article DOI: 10.1016/0960-894X(95)00549-9 BindingDB Entry DOI: 10.7270/Q2RV0NPW
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50286880 (Butyric acid 2'-butylcarbamoyloxy-[1,1']binaphthal...) Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)CCC)ccc2ccccc12 |(-5.23,-.68,;-3.9,-1.45,;-2.56,-.68,;-1.23,-1.47,;.12,-.68,;1.45,-1.47,;1.45,-3.01,;2.78,-.7,;4.11,-1.47,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,;5.44,-.7,;5.44,.84,;6.77,1.63,;8.12,.86,;9.45,1.63,;9.43,3.17,;10.79,.86,;12.12,1.65,;13.45,.88,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,)| Show InChI InChI=1S/C29H29NO4/c1-3-5-19-30-29(32)34-25-18-16-21-12-7-9-14-23(21)28(25)27-22-13-8-6-11-20(22)15-17-24(27)33-26(31)10-4-2/h6-9,11-18H,3-5,10,19H2,1-2H3,(H,30,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	n/a	n/a	n/a	n/a	6.00E+3	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 43-46 (1996) Article DOI: 10.1016/0960-894X(95)00549-9 BindingDB Entry DOI: 10.7270/Q2RV0NPW
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50286878 (Butyl-carbamic acid 2'-hydroxy-[1,1']binaphthaleny...) Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12 |(-5.4,-.57,;-4.07,-1.34,;-2.73,-.57,;-1.4,-1.35,;-.06,-.57,;1.27,-1.35,;1.27,-2.89,;2.61,-.58,;3.94,-1.35,;3.94,-2.89,;5.28,-3.66,;6.6,-2.89,;7.93,-3.66,;9.28,-2.89,;9.28,-1.35,;7.95,-.57,;6.6,-1.35,;5.28,-.58,;5.28,.96,;6.6,1.74,;7.93,.97,;6.6,3.28,;5.25,4.05,;3.94,3.26,;2.59,4.03,;1.27,3.26,;1.27,1.72,;2.59,.95,;3.94,1.72,)| Show InChI InChI=1S/C25H23NO3/c1-2-3-16-26-25(28)29-22-15-13-18-9-5-7-11-20(18)24(22)23-19-10-6-4-8-17(19)12-14-21(23)27/h4-15,27H,2-3,16H2,1H3,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	n/a	5.00E+5	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 43-46 (1996) Article DOI: 10.1016/0960-894X(95)00549-9 BindingDB Entry DOI: 10.7270/Q2RV0NPW
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50286878 (Butyl-carbamic acid 2'-hydroxy-[1,1']binaphthaleny...) Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12 |(-5.4,-.57,;-4.07,-1.34,;-2.73,-.57,;-1.4,-1.35,;-.06,-.57,;1.27,-1.35,;1.27,-2.89,;2.61,-.58,;3.94,-1.35,;3.94,-2.89,;5.28,-3.66,;6.6,-2.89,;7.93,-3.66,;9.28,-2.89,;9.28,-1.35,;7.95,-.57,;6.6,-1.35,;5.28,-.58,;5.28,.96,;6.6,1.74,;7.93,.97,;6.6,3.28,;5.25,4.05,;3.94,3.26,;2.59,4.03,;1.27,3.26,;1.27,1.72,;2.59,.95,;3.94,1.72,)| Show InChI InChI=1S/C25H23NO3/c1-2-3-16-26-25(28)29-22-15-13-18-9-5-7-11-20(18)24(22)23-19-10-6-4-8-17(19)12-14-21(23)27/h4-15,27H,2-3,16H2,1H3,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	n/a	5.00E+5	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 43-46 (1996) Article DOI: 10.1016/0960-894X(95)00549-9 BindingDB Entry DOI: 10.7270/Q2RV0NPW
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50286879 (Butyl-carbamic acid 2'-butylcarbamoyloxy-[1,1']bin...) Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)NCCCC)ccc2ccccc12 |(16.13,.89,;14.79,1.65,;13.46,.88,;12.12,1.65,;10.79,.86,;9.45,1.63,;9.43,3.17,;8.12,.86,;6.77,1.63,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,;5.44,.84,;5.44,-.7,;4.11,-1.47,;2.78,-.7,;1.45,-1.47,;1.45,-3.01,;.12,-.68,;-1.23,-1.47,;-2.56,-.68,;-3.9,-1.45,;-5.23,-.68,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,)| Show InChI InChI=1S/C30H32N2O4/c1-3-5-19-31-29(33)35-25-17-15-21-11-7-9-13-23(21)27(25)28-24-14-10-8-12-22(24)16-18-26(28)36-30(34)32-20-6-4-2/h7-18H,3-6,19-20H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	n/a	4.00E+3	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dissociation constant of the compound (KI) for the Pancreatic cholesterol esterase-catalyzed hydrolysis of 4-nitrophenyl butyrate				Bioorg Med Chem Lett 6: 43-46 (1996) Article DOI: 10.1016/0960-894X(95)00549-9 BindingDB Entry DOI: 10.7270/Q2RV0NPW
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50286879 (Butyl-carbamic acid 2'-butylcarbamoyloxy-[1,1']bin...) Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)NCCCC)ccc2ccccc12 |(16.13,.89,;14.79,1.65,;13.46,.88,;12.12,1.65,;10.79,.86,;9.45,1.63,;9.43,3.17,;8.12,.86,;6.77,1.63,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,;5.44,.84,;5.44,-.7,;4.11,-1.47,;2.78,-.7,;1.45,-1.47,;1.45,-3.01,;.12,-.68,;-1.23,-1.47,;-2.56,-.68,;-3.9,-1.45,;-5.23,-.68,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,)| Show InChI InChI=1S/C30H32N2O4/c1-3-5-19-31-29(33)35-25-17-15-21-11-7-9-13-23(21)27(25)28-24-14-10-8-12-22(24)16-18-26(28)36-30(34)32-20-6-4-2/h7-18H,3-6,19-20H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	n/a	4.00E+3	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dissociation constant of the compound (KI) for the Pancreatic cholesterol esterase-catalyzed hydrolysis of 4-nitrophenyl butyrate				Bioorg Med Chem Lett 6: 43-46 (1996) Article DOI: 10.1016/0960-894X(95)00549-9 BindingDB Entry DOI: 10.7270/Q2RV0NPW
					More data for this Ligand-Target Pair
Bile salt-activated lipase (Bos taurus)	BDBM50286878 (Butyl-carbamic acid 2'-hydroxy-[1,1']binaphthaleny...) Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12 |(-5.4,-.57,;-4.07,-1.34,;-2.73,-.57,;-1.4,-1.35,;-.06,-.57,;1.27,-1.35,;1.27,-2.89,;2.61,-.58,;3.94,-1.35,;3.94,-2.89,;5.28,-3.66,;6.6,-2.89,;7.93,-3.66,;9.28,-2.89,;9.28,-1.35,;7.95,-.57,;6.6,-1.35,;5.28,-.58,;5.28,.96,;6.6,1.74,;7.93,.97,;6.6,3.28,;5.25,4.05,;3.94,3.26,;2.59,4.03,;1.27,3.26,;1.27,1.72,;2.59,.95,;3.94,1.72,)| Show InChI InChI=1S/C25H23NO3/c1-2-3-16-26-25(28)29-22-15-13-18-9-5-7-11-20(18)24(22)23-19-10-6-4-8-17(19)12-14-21(23)27/h4-15,27H,2-3,16H2,1H3,(H,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	n/a	5.00E+5	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR)				Bioorg Med Chem Lett 6: 43-46 (1996) Article DOI: 10.1016/0960-894X(95)00549-9 BindingDB Entry DOI: 10.7270/Q2RV0NPW
					More data for this Ligand-Target Pair