Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'fang' and Initial = 'wy'   

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
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50537515 (CHEMBL4644088) Show SMILES FC(F)(F)c1ccc(cc1)C#Cc1ccc(s1)-c1c(CNS(=O)(=O)N2CCCC2)c(cn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C34H32Cl2F3N5O3S2/c35-25-11-14-30(29(36)20-25)44-22-28(33(45)41-42-16-2-1-3-17-42)27(21-40-49(46,47)43-18-4-5-19-43)32(44)31-15-13-26(48-31)12-8-23-6-9-24(10-7-23)34(37,38)39/h6-7,9-11,13-15,20,22,40H,1-5,16-19,21H2,(H,41,45)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C alpha expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50537520 (CHEMBL4649783) Show SMILES CC(=O)N1CCc2ccc(NS(=O)(=O)c3c(Cl)nc4SCCn34)cc12 Show InChI InChI=1S/C15H15ClN4O3S2/c1-9(21)19-5-4-10-2-3-11(8-12(10)19)18-25(22,23)14-13(16)17-15-20(14)6-7-24-15/h2-3,8,18H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C alpha expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50537518 (CHEMBL4635924) Show SMILES Clc1nc2SCCn2c1S(Cl)(=O)=O Show InChI InChI=1S/C5H4Cl2N2O2S2/c6-3-4(13(7,10)11)9-1-2-12-5(9)8-3/h1-2H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C alpha expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50537519 (CHEMBL4638578) Show SMILES Clc1nc2SCCn2c1S(=O)(=O)Nc1ccc2[nH]ccc2c1 Show InChI InChI=1S/C13H11ClN4O2S2/c14-11-12(18-5-6-21-13(18)16-11)22(19,20)17-9-1-2-10-8(7-9)3-4-15-10/h1-4,7,15,17H,5-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C alpha expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50537515 (CHEMBL4644088) Show SMILES FC(F)(F)c1ccc(cc1)C#Cc1ccc(s1)-c1c(CNS(=O)(=O)N2CCCC2)c(cn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C34H32Cl2F3N5O3S2/c35-25-11-14-30(29(36)20-25)44-22-28(33(45)41-42-16-2-1-3-17-42)27(21-40-49(46,47)43-18-4-5-19-43)32(44)31-15-13-26(48-31)12-8-23-6-9-24(10-7-23)34(37,38)39/h6-7,9-11,13-15,20,22,40H,1-5,16-19,21H2,(H,41,45)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C eta expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50537512 (CHEMBL4637934) Show SMILES CC(=O)C(=N/Nc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)Nc2nnc(s2)S(N)(=O)=O)c1-c1ccccc1)\C(=O)c1ccccc1 Show InChI InChI=1S/C31H24N12O8S4/c1-16(44)22(25(45)18-11-6-3-7-12-18)37-36-19-13-8-14-20(15-19)43-24(17-9-4-2-5-10-17)21(26(46)34-28-38-40-30(52-28)54(32,48)49)23(42-43)27(47)35-29-39-41-31(53-29)55(33,50)51/h2-15,36H,1H3,(H2,32,48,49)(H2,33,50,51)(H,34,38,46)(H,35,39,47)/b37-22+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C eta expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM34152 (CHEMBL362628 | E-6801) Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 Show InChI InChI=1S/C17H18ClN5O2S2/c1-22(2)6-5-11-10-19-14-4-3-12(9-13(11)14)21-27(24,25)16-15(18)20-17-23(16)7-8-26-17/h3-4,7-10,19,21H,5-6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	312	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C alpha expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50537521 (CHEMBL4632617) Show SMILES O=S(=O)(Nc1ccc2sc(nc2c1)N1CCNCC1)c1cccc2ccccc12 Show InChI InChI=1S/C21H20N4O2S2/c26-29(27,20-7-3-5-15-4-1-2-6-17(15)20)24-16-8-9-19-18(14-16)23-21(28-19)25-12-10-22-11-13-25/h1-9,14,22,24H,10-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C delta expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM193743 (Ethyl 3-oxo-2-(2-(3-(5-phenyl-3,4-bis((5-sulfamoyl...) Show SMILES CCCC(=O)C(=N\Nc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)Nc2nnc(s2)S(N)(=O)=O)c1-c1ccccc1)\C(=O)OCC Show InChI InChI=1S/C29H28N12O9S4/c1-3-9-18(42)20(25(45)50-4-2)35-34-16-12-8-13-17(14-16)41-22(15-10-6-5-7-11-15)19(23(43)32-26-36-38-28(51-26)53(30,46)47)21(40-41)24(44)33-27-37-39-29(52-27)54(31,48)49/h5-8,10-14,34H,3-4,9H2,1-2H3,(H2,30,46,47)(H2,31,48,49)(H,32,36,43)(H,33,37,44)/b35-20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	884	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C alpha expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515806 (CHEMBL4533252) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(OS(N)(=O)=O)cc1)C(C)=O |t:9| Show InChI InChI=1S/C18H19N3O5S/c1-12(22)21-18(14-5-9-16(10-6-14)26-27(19,23)24)11-17(20-21)13-3-7-15(25-2)8-4-13/h3-10,18H,11H2,1-2H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C alpha expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50537510 (CHEMBL4644942) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)CC\C1=C/C(=O)c1ccc(cc1Cl)[N+]([O-])=O Show InChI InChI=1S/C18H14ClN3O6S/c19-16-9-13(22(25)26)3-7-15(16)17(23)10-12-4-8-18(24)21(12)11-1-5-14(6-2-11)29(20,27)28/h1-3,5-7,9-10H,4,8H2,(H2,20,27,28)/b12-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C eta expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50537511 (CHEMBL4633178) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)CC\C1=C/C(=O)c1cccc(F)c1 Show InChI InChI=1S/C18H15FN2O4S/c19-13-3-1-2-12(10-13)17(22)11-15-6-9-18(23)21(15)14-4-7-16(8-5-14)26(20,24)25/h1-5,7-8,10-11H,6,9H2,(H2,20,24,25)/b15-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C eta expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50515806 (CHEMBL4533252) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(OS(N)(=O)=O)cc1)C(C)=O |t:9| Show InChI InChI=1S/C18H19N3O5S/c1-12(22)21-18(14-5-9-16(10-6-14)26-27(19,23)24)11-17(20-21)13-3-7-15(25-2)8-4-13/h3-10,18H,11H2,1-2H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C eta expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (RAT)	BDBM50537507 (CHEMBL4638485) Show SMILES COc1cc(\C=C2/C=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccc(Cl)cc2)cc(OC)c1OC |c:7| Show InChI InChI=1S/C26H23ClN2O6S/c1-33-23-13-16(14-24(34-2)25(23)35-3)12-18-15-22(17-4-6-19(27)7-5-17)29(26(18)30)20-8-10-21(11-9-20)36(28,31)32/h4-15H,1-3H3,(H2,28,31,32)/b18-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C eta expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (RAT)	BDBM50487330 (CHEMBL4638767) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C\c2ccc(cc2)C(F)(F)F)C=C1c1ccc(Cl)cc1 |c:27| Show InChI InChI=1S/C27H31NO2S2/c29-19-7-14-26-25(17-15-23-11-5-2-6-12-23)28-27(32-26)18-16-24(30)21-31-20-8-13-22-9-3-1-4-10-22/h1-6,9-12,16,18,29H,7-8,13-15,17,19-21H2/b18-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Tested for inhibition of cGMP-dependent protein kinase from bovine lung				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM222462 ((E)-4-[4-(2-Chlorobenzylidene)-2-(4-chlorophenyl)-...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccccc2Cl)N=C1c1ccc(Cl)cc1 |c:24| Show InChI InChI=1S/C22H15Cl2N3O3S/c23-16-7-5-14(6-8-16)21-26-20(13-15-3-1-2-4-19(15)24)22(28)27(21)17-9-11-18(12-10-17)31(25,29)30/h1-13H,(H2,25,29,30)/b20-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 by EIA				Eur J Med Chem 173: 117-153 (2019) Article DOI: 10.1016/j.ejmech.2019.03.063 BindingDB Entry DOI: 10.7270/Q2QJ7MMT
					More data for this Ligand-Target Pair
Beta-glucuronidase (Homo sapiens (Human))	BDBM222210 (2,4,5-Trichloro-N'-(4-(5-(2-methoxyphenyl)-1,3...) Show SMILES COc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(=O)NNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl Show InChI InChI=1S/C22H15Cl3N4O5S/c1-33-18-5-3-2-4-14(18)22-28-27-21(34-22)13-8-6-12(7-9-13)20(30)26-29-35(31,32)19-11-16(24)15(23)10-17(19)25/h2-11,29H,1H3,(H,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C eta expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50537517 (CHEMBL4644799) Show SMILES CN1CCN(CC1)c1nc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2s1 Show InChI InChI=1S/C22H22N4O2S2/c1-25-11-13-26(14-12-25)22-23-19-15-17(9-10-20(19)29-22)24-30(27,28)21-8-4-6-16-5-2-3-7-18(16)21/h2-10,15,24H,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C alpha expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
Probable maltase-glucoamylase 2 (Homo sapiens)	BDBM50502118 (CHEMBL4476702) Show SMILES Clc1ccc(cc1)-c1nnc(\N=C\c2ccc(Cl)cc2Cl)s1 Show InChI InChI=1S/C15H8Cl3N3S/c16-11-4-1-9(2-5-11)14-20-21-15(22-14)19-8-10-3-6-12(17)7-13(10)18/h1-8H/b19-8+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-a-d-glucopyranoside as substrate preincubated for 5 mins followed by substrate a...				Eur J Med Chem 173: 117-153 (2019) Article DOI: 10.1016/j.ejmech.2019.03.063 BindingDB Entry DOI: 10.7270/Q2QJ7MMT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM222462 ((E)-4-[4-(2-Chlorobenzylidene)-2-(4-chlorophenyl)-...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C/c2ccccc2Cl)N=C1c1ccc(Cl)cc1 |c:24| Show InChI InChI=1S/C22H15Cl2N3O3S/c23-16-7-5-14(6-8-16)21-26-20(13-15-3-1-2-4-19(15)24)22(28)27(21)17-9-11-18(12-10-17)31(25,29)30/h1-13H,(H2,25,29,30)/b20-13+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by EIA				Eur J Med Chem 173: 117-153 (2019) Article DOI: 10.1016/j.ejmech.2019.03.063 BindingDB Entry DOI: 10.7270/Q2QJ7MMT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (RAT)	BDBM50537508 (CHEMBL4638260) Show SMILES C\C(=N/NC(=O)CNC(=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1Cl)c1ccc(F)cc1 Show InChI InChI=1S/C23H20ClFN4O4S/c1-15(16-9-11-18(25)12-10-16)27-28-22(30)14-26-23(31)17-5-4-6-19(13-17)34(32,33)29-21-8-3-2-7-20(21)24/h2-13,29H,14H2,1H3,(H,26,31)(H,28,30)/b27-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C alpha expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (RAT)	BDBM50537509 (CHEMBL4641077) Show SMILES FC(F)(F)c1ccc(\C=N\NC(=O)CNC(=O)c2cccc(c2)S(=O)(=O)Nc2ccccc2Cl)cc1 Show InChI InChI=1S/C23H18ClF3N4O4S/c24-19-6-1-2-7-20(19)31-36(34,35)18-5-3-4-16(12-18)22(33)28-14-21(32)30-29-13-15-8-10-17(11-9-15)23(25,26)27/h1-13,31H,14H2,(H,28,33)(H,30,32)/b29-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C alpha expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50512315 (CHEMBL4438040) Show SMILES Cl.[#8]-c1c(Cl)cc(-n2[se;v2]c3cccc(F)c3c2=O)c2cccnc12 Show InChI InChI=1S/C16H8ClFN2O2Se/c17-9-7-11(8-3-2-6-19-14(8)15(9)21)20-16(22)13-10(18)4-1-5-12(13)23-20/h1-7,21H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation				Eur J Med Chem 173: 117-153 (2019) Article DOI: 10.1016/j.ejmech.2019.03.063 BindingDB Entry DOI: 10.7270/Q2QJ7MMT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50537516 (CHEMBL4643549) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nc(sc2c1)N1CCN(C)CC1 Show InChI InChI=1S/C21H26N4O2S2/c1-15(2)16-4-7-18(8-5-16)29(26,27)23-17-6-9-19-20(14-17)28-21(22-19)25-12-10-24(3)11-13-25/h4-9,14-15,23H,10-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C alpha expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
Beta-glucuronidase (Homo sapiens (Human))	BDBM222208 (2,4-Dichloro-N'-(4-(5-(2-methoxyphenyl)-1,3,4-...) Show SMILES COc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H16Cl2N4O5S/c1-32-18-5-3-2-4-16(18)22-27-26-21(33-22)14-8-6-13(7-9-14)20(29)25-28-34(30,31)19-11-10-15(23)12-17(19)24/h2-12,28H,1H3,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C alpha expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
Beta-glucuronidase (Homo sapiens (Human))	BDBM222209 (2,5-Dichloro-N'-(4-(5-(2-methoxyphenyl)-1,3,4-...) Show SMILES COc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(=O)NNS(=O)(=O)c1cc(Cl)ccc1Cl Show InChI InChI=1S/C22H16Cl2N4O5S/c1-32-18-5-3-2-4-16(18)22-27-26-21(33-22)14-8-6-13(7-9-14)20(29)25-28-34(30,31)19-12-15(23)10-11-17(19)24/h2-12,28H,1H3,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C eta expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
Beta-glucuronidase (Homo sapiens (Human))	BDBM178133 (3-(6-Chloro-1H-imidazo[4,5-b]pyridin-2-yl)benzene-...) Show SMILES Oc1cccc(-c2nc3ncc(Cl)cc3[nH]2)c1O Show InChI InChI=1S/C12H8ClN3O2/c13-6-4-8-12(14-5-6)16-11(15-8)7-2-1-3-9(17)10(7)18/h1-5,17-18H,(H,14,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of beta-glucuronidase (unknown origin) using p-nitrophenyl-beta-D-glucuronide as substrate pre-incubated for 30 mins followed by substrate...				Eur J Med Chem 173: 117-153 (2019) Article DOI: 10.1016/j.ejmech.2019.03.063 BindingDB Entry DOI: 10.7270/Q2QJ7MMT
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50537515 (CHEMBL4644088) Show SMILES FC(F)(F)c1ccc(cc1)C#Cc1ccc(s1)-c1c(CNS(=O)(=O)N2CCCC2)c(cn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C34H32Cl2F3N5O3S2/c35-25-11-14-30(29(36)20-25)44-22-28(33(45)41-42-16-2-1-3-17-42)27(21-40-49(46,47)43-18-4-5-19-43)32(44)31-15-13-26(48-31)12-8-23-6-9-24(10-7-23)34(37,38)39/h6-7,9-11,13-15,20,22,40H,1-5,16-19,21H2,(H,41,45)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C alpha expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50537514 (CHEMBL4647333) Show SMILES Cc1cc(no1)S(=O)(=O)N1CCc2c(C1)nc(CC(C)(C)C)n2CC1CC1 Show InChI InChI=1S/C19H28N4O3S/c1-13-9-18(21-26-13)27(24,25)22-8-7-16-15(12-22)20-17(10-19(2,3)4)23(16)11-14-5-6-14/h9,14H,5-8,10-12H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C eta expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50537513 (CHEMBL4640987) Show SMILES Cc1cc(no1)S(=O)(=O)N1CCc2c(C1)nc(n2CC1CC1)C(C)(C)C Show InChI InChI=1S/C18H26N4O3S/c1-12-9-16(20-25-12)26(23,24)21-8-7-15-14(11-21)19-17(18(2,3)4)22(15)10-13-5-6-13/h9,13H,5-8,10-11H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.10	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of Protein kinase C beta 2 expressed in Sf-9 cells				Eur J Med Chem 162: 679-734 (2019) Article DOI: 10.1016/j.ejmech.2018.11.017 BindingDB Entry DOI: 10.7270/Q21839DX
					More data for this Ligand-Target Pair