Compile Data Set for Download or QSAR

Found 222 hits with Last Name = 'kim' and Initial = 'nj'   

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
Stimulator of interferon genes protein (Human)	BDBM50604466 (CHEMBL5201766) Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1C\C=C\Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(cc(OCCCNC(=O)OC(C)(C)C)c12)C(N)=O)C(N)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0623	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01795 BindingDB Entry DOI: 10.7270/Q2H1363K
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509049 (CHEMBL4440744) Show SMILES CCn1nc(C)cc1C(=O)\N=c1/[nH]c2cc(ccc2n1CCCCn1c2ccc(cc2[nH]\c1=N/C(=O)c1cc(C)nn1CC)C(N)=O)C(N)=O Show InChI InChI=1S/C34H38N12O4/c1-5-45-27(15-19(3)41-45)31(49)39-33-37-23-17-21(29(35)47)9-11-25(23)43(33)13-7-8-14-44-26-12-10-22(30(36)48)18-24(26)38-34(44)40-32(50)28-16-20(4)42-46(28)6-2/h9-12,15-18H,5-8,13-14H2,1-4H3,(H2,35,47)(H2,36,48)(H,37,39,49)(H,38,40,50)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01795 BindingDB Entry DOI: 10.7270/Q2H1363K
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50304771 (3-(4-tert-Butylphenyl)-N-[3-fluoro-4-(methylsulfon...) Show SMILES CC(C)(C)c1ccc(CCC(=O)NCc2cc(F)c(NS(C)(=O)=O)c(C=C)c2)cc1 Show InChI InChI=1S/C23H29FN2O3S/c1-6-18-13-17(14-20(24)22(18)26-30(5,28)29)15-25-21(27)12-9-16-7-10-19(11-8-16)23(2,3)4/h6-8,10-11,13-14,26H,1,9,12,15H2,2-5H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake				Bioorg Med Chem 17: 8149-60 (2009) Article DOI: 10.1016/j.bmc.2009.10.043 BindingDB Entry DOI: 10.7270/Q2NV9JBN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50304776 (3-(4-tert-Butylphenyl)-N-[3-cyano-5-fluoro-4-(meth...) Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C#N)cc1 Show InChI InChI=1S/C22H26FN3O2S2/c1-22(2,3)18-8-5-15(6-9-18)7-10-20(29)25-14-16-11-17(13-24)21(19(23)12-16)26-30(4,27)28/h5-6,8-9,11-12,26H,7,10,14H2,1-4H3,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake				Bioorg Med Chem 17: 8149-60 (2009) Article DOI: 10.1016/j.bmc.2009.10.043 BindingDB Entry DOI: 10.7270/Q2NV9JBN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50304770 (3-(4-tert-Butylphenyl)-N-[3-fluoro-4-(methylsulfon...) Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2cc(F)c(NS(C)(=O)=O)c(C=C)c2)cc1 Show InChI InChI=1S/C23H29FN2O2S2/c1-6-18-13-17(14-20(24)22(18)26-30(5,27)28)15-25-21(29)12-9-16-7-10-19(11-8-16)23(2,3)4/h6-8,10-11,13-14,26H,1,9,12,15H2,2-5H3,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake				Bioorg Med Chem 17: 8149-60 (2009) Article DOI: 10.1016/j.bmc.2009.10.043 BindingDB Entry DOI: 10.7270/Q2NV9JBN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM20321 (3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...) Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1 Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake				Bioorg Med Chem 17: 8149-60 (2009) Article DOI: 10.1016/j.bmc.2009.10.043 BindingDB Entry DOI: 10.7270/Q2NV9JBN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM20321 (3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...) Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1 Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake				Bioorg Med Chem 17: 3557-67 (2009) Article DOI: 10.1016/j.bmc.2009.04.010 BindingDB Entry DOI: 10.7270/Q2V124QJ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50304752 (3-(4-tert-Butylphenyl)-N-[3-fluoro-4-(methylsulfon...) Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1 Show InChI InChI=1S/C21H27FN2O2S2/c1-21(2,3)17-9-5-15(6-10-17)8-12-20(27)23-14-16-7-11-19(18(22)13-16)24-28(4,25)26/h5-7,9-11,13,24H,8,12,14H2,1-4H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake				Bioorg Med Chem 17: 8149-60 (2009) Article DOI: 10.1016/j.bmc.2009.10.043 BindingDB Entry DOI: 10.7270/Q2NV9JBN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50304761 (3-(4-tert-Butylphenyl)-N-[3-cyano-4-(methylsulfona...) Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(c2)C#N)cc1 Show InChI InChI=1S/C22H27N3O2S2/c1-22(2,3)19-9-5-16(6-10-19)8-12-21(28)24-15-17-7-11-20(18(13-17)14-23)25-29(4,26)27/h5-7,9-11,13,25H,8,12,15H2,1-4H3,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake				Bioorg Med Chem 17: 8149-60 (2009) Article DOI: 10.1016/j.bmc.2009.10.043 BindingDB Entry DOI: 10.7270/Q2NV9JBN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50258505 (CHEMBL468512 | N-(3-Cyano-5-fluoro-4-(methylsulfon...) Show SMILES CC1(C)CCC(C)(C)c2cc(CCC(=O)NCc3cc(F)c(NS(C)(=O)=O)c(c3)C#N)ccc12 Show InChI InChI=1S/C26H32FN3O3S/c1-25(2)10-11-26(3,4)21-13-17(6-8-20(21)25)7-9-23(31)29-16-18-12-19(15-28)24(22(27)14-18)30-34(5,32)33/h6,8,12-14,30H,7,9-11,16H2,1-5H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake				Bioorg Med Chem 17: 3557-67 (2009) Article DOI: 10.1016/j.bmc.2009.04.010 BindingDB Entry DOI: 10.7270/Q2V124QJ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50304758 (3-(4-tert-Butylphenyl)-N-[3-methyl-4-(methylsulfon...) Show SMILES Cc1cc(CNC(=S)CCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O Show InChI InChI=1S/C22H30N2O2S2/c1-16-14-18(8-12-20(16)24-28(5,25)26)15-23-21(27)13-9-17-6-10-19(11-7-17)22(2,3)4/h6-8,10-12,14,24H,9,13,15H2,1-5H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake				Bioorg Med Chem 17: 8149-60 (2009) Article DOI: 10.1016/j.bmc.2009.10.043 BindingDB Entry DOI: 10.7270/Q2NV9JBN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50304760 (3-(4-tert-Butylphenyl)-N-[4-(methylsulfonamido)-3-...) Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(C=C)c2)cc1 Show InChI InChI=1S/C23H30N2O2S2/c1-6-19-15-18(9-13-21(19)25-29(5,26)27)16-24-22(28)14-10-17-7-11-20(12-8-17)23(2,3)4/h6-9,11-13,15,25H,1,10,14,16H2,2-5H3,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake				Bioorg Med Chem 17: 8149-60 (2009) Article DOI: 10.1016/j.bmc.2009.10.043 BindingDB Entry DOI: 10.7270/Q2NV9JBN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50304762 (3-(4-tert-Butylphenyl)-N-[4-(methylsulfonamido)-3-...) Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(c2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C21H27N3O4S2/c1-21(2,3)17-9-5-15(6-10-17)8-12-20(29)22-14-16-7-11-18(23-30(4,27)28)19(13-16)24(25)26/h5-7,9-11,13,23H,8,12,14H2,1-4H3,(H,22,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake				Bioorg Med Chem 17: 8149-60 (2009) Article DOI: 10.1016/j.bmc.2009.10.043 BindingDB Entry DOI: 10.7270/Q2NV9JBN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50304772 (3-(4-tert-Butylphenyl)-N-[3-acetylene-5-fluoro-4-(...) Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C#C)cc1 Show InChI InChI=1S/C23H27FN2O2S2/c1-6-18-13-17(14-20(24)22(18)26-30(5,27)28)15-25-21(29)12-9-16-7-10-19(11-8-16)23(2,3)4/h1,7-8,10-11,13-14,26H,9,12,15H2,2-5H3,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake				Bioorg Med Chem 17: 8149-60 (2009) Article DOI: 10.1016/j.bmc.2009.10.043 BindingDB Entry DOI: 10.7270/Q2NV9JBN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50304768 (3-(4-tert-Butylphenyl)-N-[3-chloro-5-methyl-4-(met...) Show SMILES Cc1cc(CNC(=S)CCc2ccc(cc2)C(C)(C)C)cc(Cl)c1NS(C)(=O)=O Show InChI InChI=1S/C22H29ClN2O2S2/c1-15-12-17(13-19(23)21(15)25-29(5,26)27)14-24-20(28)11-8-16-6-9-18(10-7-16)22(2,3)4/h6-7,9-10,12-13,25H,8,11,14H2,1-5H3,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake				Bioorg Med Chem 17: 8149-60 (2009) Article DOI: 10.1016/j.bmc.2009.10.043 BindingDB Entry DOI: 10.7270/Q2NV9JBN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50258476 (3-(4-tert-Butylphenyl)-N-(3-cyano-5-fluoro-4-(meth...) Show SMILES CC(C)(C)c1ccc(CCC(=O)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C#N)cc1 Show InChI InChI=1S/C22H26FN3O3S/c1-22(2,3)18-8-5-15(6-9-18)7-10-20(27)25-14-16-11-17(13-24)21(19(23)12-16)26-30(4,28)29/h5-6,8-9,11-12,26H,7,10,14H2,1-4H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake				Bioorg Med Chem 17: 8149-60 (2009) Article DOI: 10.1016/j.bmc.2009.10.043 BindingDB Entry DOI: 10.7270/Q2NV9JBN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50258476 (3-(4-tert-Butylphenyl)-N-(3-cyano-5-fluoro-4-(meth...) Show SMILES CC(C)(C)c1ccc(CCC(=O)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C#N)cc1 Show InChI InChI=1S/C22H26FN3O3S/c1-22(2,3)18-8-5-15(6-9-18)7-10-20(27)25-14-16-11-17(13-24)21(19(23)12-16)26-30(4,28)29/h5-6,8-9,11-12,26H,7,10,14H2,1-4H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake				Bioorg Med Chem 17: 3557-67 (2009) Article DOI: 10.1016/j.bmc.2009.04.010 BindingDB Entry DOI: 10.7270/Q2V124QJ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50304753 (3-(4-tert-Butylphenyl)-N-[3-chloro-4-(methylsulfon...) Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 Show InChI InChI=1S/C21H27ClN2O2S2/c1-21(2,3)17-9-5-15(6-10-17)8-12-20(27)23-14-16-7-11-19(18(22)13-16)24-28(4,25)26/h5-7,9-11,13,24H,8,12,14H2,1-4H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake				Bioorg Med Chem 17: 8149-60 (2009) Article DOI: 10.1016/j.bmc.2009.10.043 BindingDB Entry DOI: 10.7270/Q2NV9JBN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50304769 (3-(4-tert-Butylphenyl)-N-[3-chloro-5-methyl-4-(met...) Show SMILES Cc1cc(CNC(=O)CCc2ccc(cc2)C(C)(C)C)cc(Cl)c1NS(C)(=O)=O Show InChI InChI=1S/C22H29ClN2O3S/c1-15-12-17(13-19(23)21(15)25-29(5,27)28)14-24-20(26)11-8-16-6-9-18(10-7-16)22(2,3)4/h6-7,9-10,12-13,25H,8,11,14H2,1-5H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake				Bioorg Med Chem 17: 8149-60 (2009) Article DOI: 10.1016/j.bmc.2009.10.043 BindingDB Entry DOI: 10.7270/Q2NV9JBN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50304773 (3-(4-tert-Butylphenyl)-N-[3-acetylene-5-fluoro-4-(...) Show SMILES CC(C)(C)c1ccc(CCC(=O)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C#C)cc1 Show InChI InChI=1S/C23H27FN2O3S/c1-6-18-13-17(14-20(24)22(18)26-30(5,28)29)15-25-21(27)12-9-16-7-10-19(11-8-16)23(2,3)4/h1,7-8,10-11,13-14,26H,9,12,15H2,2-5H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake				Bioorg Med Chem 17: 8149-60 (2009) Article DOI: 10.1016/j.bmc.2009.10.043 BindingDB Entry DOI: 10.7270/Q2NV9JBN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50258840 (3-(4-tert-Butylphenyl)-N-(3-fluoro-4-(methylsulfon...) Show SMILES CC(C)(C)c1ccc(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1 Show InChI InChI=1S/C21H27FN2O3S/c1-21(2,3)17-9-5-15(6-10-17)8-12-20(25)23-14-16-7-11-19(18(22)13-16)24-28(4,26)27/h5-7,9-11,13,24H,8,12,14H2,1-4H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake				Bioorg Med Chem 17: 3557-67 (2009) Article DOI: 10.1016/j.bmc.2009.04.010 BindingDB Entry DOI: 10.7270/Q2V124QJ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50258415 (CHEMBL493769 | N-(3-Fluoro-4-(methylsulfonamido)be...) Show SMILES CC1(C)CCC(C)(C)c2cc(CCC(=O)NCc3ccc(NS(C)(=O)=O)c(F)c3)ccc12 Show InChI InChI=1S/C25H33FN2O3S/c1-24(2)12-13-25(3,4)20-14-17(6-9-19(20)24)8-11-23(29)27-16-18-7-10-22(21(26)15-18)28-32(5,30)31/h6-7,9-10,14-15,28H,8,11-13,16H2,1-5H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake				Bioorg Med Chem 17: 3557-67 (2009) Article DOI: 10.1016/j.bmc.2009.04.010 BindingDB Entry DOI: 10.7270/Q2V124QJ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50258314 (3-(3,5-Di-tert-butylphenyl)-N-(3-fluoro-4-(methyls...) Show SMILES CC(C)(C)c1cc(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc(c1)C(C)(C)C Show InChI InChI=1S/C25H35FN2O3S/c1-24(2,3)19-12-17(13-20(15-19)25(4,5)6)9-11-23(29)27-16-18-8-10-22(21(26)14-18)28-32(7,30)31/h8,10,12-15,28H,9,11,16H2,1-7H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake				Bioorg Med Chem 17: 3557-67 (2009) Article DOI: 10.1016/j.bmc.2009.04.010 BindingDB Entry DOI: 10.7270/Q2V124QJ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50258504 (CHEMBL512461 | N-(3-Cyano-5-fluoro-4-(methylsulfon...) Show SMILES CC1(CC1)c1ccc(CCC(=O)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C#N)cc1 Show InChI InChI=1S/C22H24FN3O3S/c1-22(9-10-22)18-6-3-15(4-7-18)5-8-20(27)25-14-16-11-17(13-24)21(19(23)12-16)26-30(2,28)29/h3-4,6-7,11-12,26H,5,8-10,14H2,1-2H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake				Bioorg Med Chem 17: 3557-67 (2009) Article DOI: 10.1016/j.bmc.2009.04.010 BindingDB Entry DOI: 10.7270/Q2V124QJ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50304759 (3-(4-tert-Butylphenyl)-N-[3-ethyl-4-(methylsulfona...) Show SMILES CCc1cc(CNC(=S)CCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O Show InChI InChI=1S/C23H32N2O2S2/c1-6-19-15-18(9-13-21(19)25-29(5,26)27)16-24-22(28)14-10-17-7-11-20(12-8-17)23(2,3)4/h7-9,11-13,15,25H,6,10,14,16H2,1-5H3,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake				Bioorg Med Chem 17: 8149-60 (2009) Article DOI: 10.1016/j.bmc.2009.10.043 BindingDB Entry DOI: 10.7270/Q2NV9JBN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50304774 (3-(4-tert-Butylphenyl)-N-[3-cyclopropyl-5-fluoro-4...) Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C2CC2)cc1 Show InChI InChI=1S/C24H31FN2O2S2/c1-24(2,3)19-10-5-16(6-11-19)7-12-22(30)26-15-17-13-20(18-8-9-18)23(21(25)14-17)27-31(4,28)29/h5-6,10-11,13-14,18,27H,7-9,12,15H2,1-4H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake				Bioorg Med Chem 17: 8149-60 (2009) Article DOI: 10.1016/j.bmc.2009.10.043 BindingDB Entry DOI: 10.7270/Q2NV9JBN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50258446 (3-(6-tert-Butylchroman-8-yl)-N-(3-fluoro-4-(methyl...) Show SMILES CC(C)(C)c1cc(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)c2OCCCc2c1 Show InChI InChI=1S/C24H31FN2O4S/c1-24(2,3)19-13-17-6-5-11-31-23(17)18(14-19)8-10-22(28)26-15-16-7-9-21(20(25)12-16)27-32(4,29)30/h7,9,12-14,27H,5-6,8,10-11,15H2,1-4H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake				Bioorg Med Chem 17: 3557-67 (2009) Article DOI: 10.1016/j.bmc.2009.04.010 BindingDB Entry DOI: 10.7270/Q2V124QJ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50304755 (3-(4-tert-Butylphenyl)-N-[3-iodo-4-(methylsulfonam...) Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(I)c2)cc1 Show InChI InChI=1S/C21H27IN2O2S2/c1-21(2,3)17-9-5-15(6-10-17)8-12-20(27)23-14-16-7-11-19(18(22)13-16)24-28(4,25)26/h5-7,9-11,13,24H,8,12,14H2,1-4H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake				Bioorg Med Chem 17: 8149-60 (2009) Article DOI: 10.1016/j.bmc.2009.10.043 BindingDB Entry DOI: 10.7270/Q2NV9JBN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50258414 ((E)-N-(3-Fluoro-4-(methylsulfonamido)benzyl)-3-(5,...) Show SMILES CC1(C)CCC(C)(C)c2cc(\C=C\C(=O)NCc3ccc(NS(C)(=O)=O)c(F)c3)ccc12 Show InChI InChI=1S/C25H31FN2O3S/c1-24(2)12-13-25(3,4)20-14-17(6-9-19(20)24)8-11-23(29)27-16-18-7-10-22(21(26)15-18)28-32(5,30)31/h6-11,14-15,28H,12-13,16H2,1-5H3,(H,27,29)/b11-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake				Bioorg Med Chem 17: 3557-67 (2009) Article DOI: 10.1016/j.bmc.2009.04.010 BindingDB Entry DOI: 10.7270/Q2V124QJ
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20732 ((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...) Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2OC |r,w:16.16,6.6,t:28| Show InChI InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-11,13-14,17,22-24,26,32-34H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8?,15-11?,16-9?,18-13+/t17-,22-,23-,24+,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	348	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of HSP90 using VER-00045864 probe by fluorescence polarization assay				J Med Chem 55: 10863-84 (2012) Article DOI: 10.1021/jm301488q BindingDB Entry DOI: 10.7270/Q2K075FF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50304775 (3-(4-tert-Butylphenyl)-N-[3-cyclopropyl-5-fluoro-4...) Show SMILES CC(C)(C)c1ccc(CCC(=O)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C2CC2)cc1 Show InChI InChI=1S/C24H31FN2O3S/c1-24(2,3)19-10-5-16(6-11-19)7-12-22(28)26-15-17-13-20(18-8-9-18)23(21(25)14-17)27-31(4,29)30/h5-6,10-11,13-14,18,27H,7-9,12,15H2,1-4H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake				Bioorg Med Chem 17: 8149-60 (2009) Article DOI: 10.1016/j.bmc.2009.10.043 BindingDB Entry DOI: 10.7270/Q2NV9JBN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50258270 (CHEMBL492800 | N-(3-Fluoro-4-(methylsulfonamido)be...) Show SMILES CS(=O)(=O)Nc1ccc(CNC(=O)CCc2ccc(CC3CC3)cc2)cc1F Show InChI InChI=1S/C21H25FN2O3S/c1-28(26,27)24-20-10-8-18(13-19(20)22)14-23-21(25)11-9-15-2-4-16(5-3-15)12-17-6-7-17/h2-5,8,10,13,17,24H,6-7,9,11-12,14H2,1H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake				Bioorg Med Chem 17: 3557-67 (2009) Article DOI: 10.1016/j.bmc.2009.04.010 BindingDB Entry DOI: 10.7270/Q2V124QJ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50258269 ((E)-N-(3-Fluoro-4-(methylsulfonamido)benzyl)-3-(4-...) Show SMILES CS(=O)(=O)Nc1ccc(CNC(=O)\C=C\c2ccc(CC3CC3)cc2)cc1F Show InChI InChI=1S/C21H23FN2O3S/c1-28(26,27)24-20-10-8-18(13-19(20)22)14-23-21(25)11-9-15-2-4-16(5-3-15)12-17-6-7-17/h2-5,8-11,13,17,24H,6-7,12,14H2,1H3,(H,23,25)/b11-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake				Bioorg Med Chem 17: 3557-67 (2009) Article DOI: 10.1016/j.bmc.2009.04.010 BindingDB Entry DOI: 10.7270/Q2V124QJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50040212 (CHEMBL3359473) Show SMILES Cl.COc1ccc(\C=C2/Oc3cc(OCCN4CCCCC4)ccc3C2=O)cc1OC Show InChI InChI=1S/C24H27NO5.ClH/c1-27-20-9-6-17(14-22(20)28-2)15-23-24(26)19-8-7-18(16-21(19)30-23)29-13-12-25-10-4-3-5-11-25;/h6-9,14-16H,3-5,10-13H2,1-2H3;1H/b23-15-;	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	400	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...				Bioorg Med Chem 23: 231-40 (2014) Article DOI: 10.1016/j.bmc.2014.11.004 BindingDB Entry DOI: 10.7270/Q2V126FS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50258839 ((E)-3-(4-tert-Butylphenyl)-N-(3-fluoro-4-(methylsu...) Show SMILES CC(C)(C)c1ccc(\C=C\C(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1 Show InChI InChI=1S/C21H25FN2O3S/c1-21(2,3)17-9-5-15(6-10-17)8-12-20(25)23-14-16-7-11-19(18(22)13-16)24-28(4,26)27/h5-13,24H,14H2,1-4H3,(H,23,25)/b12-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake				Bioorg Med Chem 17: 3557-67 (2009) Article DOI: 10.1016/j.bmc.2009.04.010 BindingDB Entry DOI: 10.7270/Q2V124QJ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50304767 (3-(4-tert-Butylphenyl)-N-[3,5-dimethyl-4-(methylsu...) Show SMILES Cc1cc(CNC(=O)CCc2ccc(cc2)C(C)(C)C)cc(C)c1NS(C)(=O)=O Show InChI InChI=1S/C23H32N2O3S/c1-16-13-19(14-17(2)22(16)25-29(6,27)28)15-24-21(26)12-9-18-7-10-20(11-8-18)23(3,4)5/h7-8,10-11,13-14,25H,9,12,15H2,1-6H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake				Bioorg Med Chem 17: 8149-60 (2009) Article DOI: 10.1016/j.bmc.2009.10.043 BindingDB Entry DOI: 10.7270/Q2NV9JBN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50258841 (3-(4-sec-Butylphenyl)-N-(3-fluoro-4-(methylsulfona...) Show SMILES CC(C)Cc1ccc(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1 Show InChI InChI=1S/C21H27FN2O3S/c1-15(2)12-17-6-4-16(5-7-17)9-11-21(25)23-14-18-8-10-20(19(22)13-18)24-28(3,26)27/h4-8,10,13,15,24H,9,11-12,14H2,1-3H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake				Bioorg Med Chem 17: 3557-67 (2009) Article DOI: 10.1016/j.bmc.2009.04.010 BindingDB Entry DOI: 10.7270/Q2V124QJ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50172598 (CHEMBL197781 | N-(4-[({4-tert-Butylbenzyl}aminocar...) Show SMILES CC(C)(C)c1ccc(CNC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1 Show InChI InChI=1S/C20H26FN3O3S/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(25)23-13-15-7-10-18(17(21)11-15)24-28(4,26)27/h5-11,24H,12-13H2,1-4H3,(H2,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake				Bioorg Med Chem 17: 3557-67 (2009) Article DOI: 10.1016/j.bmc.2009.04.010 BindingDB Entry DOI: 10.7270/Q2V124QJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50040200 (CHEMBL3359485) Show SMILES Cl.COc1cccc(\C=C2/Oc3cc(OCCCN4CCCCC4)ccc3C2=O)c1 Show InChI InChI=1S/C24H27NO4.ClH/c1-27-19-8-5-7-18(15-19)16-23-24(26)21-10-9-20(17-22(21)29-23)28-14-6-13-25-11-3-2-4-12-25;/h5,7-10,15-17H,2-4,6,11-14H2,1H3;1H/b23-16-;	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	750	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...				Bioorg Med Chem 23: 231-40 (2014) Article DOI: 10.1016/j.bmc.2014.11.004 BindingDB Entry DOI: 10.7270/Q2V126FS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50040204 (CHEMBL3359481) Show SMILES Cl.COc1ccc(\C=C2/Oc3cc(OCCN4CCCC4)ccc3C2=O)cc1OC Show InChI InChI=1S/C23H25NO5.ClH/c1-26-19-8-5-16(13-21(19)27-2)14-22-23(25)18-7-6-17(15-20(18)29-22)28-12-11-24-9-3-4-10-24;/h5-8,13-15H,3-4,9-12H2,1-2H3;1H/b22-14-;	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	750	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...				Bioorg Med Chem 23: 231-40 (2014) Article DOI: 10.1016/j.bmc.2014.11.004 BindingDB Entry DOI: 10.7270/Q2V126FS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50040107 (CHEMBL3359496) Show SMILES Cl.COc1ccc(\C=C2/Oc3cc(OCCCN4CCCCC4)ccc3C2=O)cc1OC Show InChI InChI=1S/C25H29NO5.ClH/c1-28-21-10-7-18(15-23(21)29-2)16-24-25(27)20-9-8-19(17-22(20)31-24)30-14-6-13-26-11-4-3-5-12-26;/h7-10,15-17H,3-6,11-14H2,1-2H3;1H/b24-16-;	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...				Bioorg Med Chem 23: 231-40 (2014) Article DOI: 10.1016/j.bmc.2014.11.004 BindingDB Entry DOI: 10.7270/Q2V126FS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50040213 (CHEMBL3359472) Show SMILES Cl.COc1ccc(\C=C2/Oc3cc(OCCN4CCCCC4)ccc3C2=O)cc1 Show InChI InChI=1S/C23H25NO4.ClH/c1-26-18-7-5-17(6-8-18)15-22-23(25)20-10-9-19(16-21(20)28-22)27-14-13-24-11-3-2-4-12-24;/h5-10,15-16H,2-4,11-14H2,1H3;1H/b22-15-;	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	900	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...				Bioorg Med Chem 23: 231-40 (2014) Article DOI: 10.1016/j.bmc.2014.11.004 BindingDB Entry DOI: 10.7270/Q2V126FS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50258445 ((E)-3-(6-tert-Butylchroman-8-yl)-N-(3-fluoro-4-(me...) Show SMILES CC(C)(C)c1cc2CCCOc2c(\C=C\C(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)c1 Show InChI InChI=1S/C24H29FN2O4S/c1-24(2,3)19-13-17-6-5-11-31-23(17)18(14-19)8-10-22(28)26-15-16-7-9-21(20(25)12-16)27-32(4,29)30/h7-10,12-14,27H,5-6,11,15H2,1-4H3,(H,26,28)/b10-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake				Bioorg Med Chem 17: 3557-67 (2009) Article DOI: 10.1016/j.bmc.2009.04.010 BindingDB Entry DOI: 10.7270/Q2V124QJ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50304757 (3-(4-tert-Butylphenyl)-N-[4-(methylsulfon amido)-3...) Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H27F3N2O2S2/c1-21(2,3)17-9-5-15(6-10-17)8-12-20(30)26-14-16-7-11-19(27-31(4,28)29)18(13-16)22(23,24)25/h5-7,9-11,13,27H,8,12,14H2,1-4H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake				Bioorg Med Chem 17: 8149-60 (2009) Article DOI: 10.1016/j.bmc.2009.10.043 BindingDB Entry DOI: 10.7270/Q2NV9JBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50040207 (CHEMBL3359478) Show SMILES Cl.COc1cccc(\C=C2/Oc3cc(OCCN4CCCC4)ccc3C2=O)c1OC Show InChI InChI=1S/C23H25NO5.ClH/c1-26-19-7-5-6-16(23(19)27-2)14-21-22(25)18-9-8-17(15-20(18)29-21)28-13-12-24-10-3-4-11-24;/h5-9,14-15H,3-4,10-13H2,1-2H3;1H/b21-14-;	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...				Bioorg Med Chem 23: 231-40 (2014) Article DOI: 10.1016/j.bmc.2014.11.004 BindingDB Entry DOI: 10.7270/Q2V126FS
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50304765 (CHEMBL610203 | N-[3-Acetyl-4-(methylsulfonamido)be...) Show SMILES CC(=O)c1cc(CNC(=S)CCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O Show InChI InChI=1S/C23H30N2O3S2/c1-16(26)20-14-18(8-12-21(20)25-30(5,27)28)15-24-22(29)13-9-17-6-10-19(11-7-17)23(2,3)4/h6-8,10-12,14,25H,9,13,15H2,1-5H3,(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake				Bioorg Med Chem 17: 8149-60 (2009) Article DOI: 10.1016/j.bmc.2009.10.043 BindingDB Entry DOI: 10.7270/Q2NV9JBN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50040160 (CHEMBL3359492) Show SMILES Cl.COc1ccc(\C=C2/Oc3cc(OCCCN4CCCC4)ccc3C2=O)cc1OC Show InChI InChI=1S/C24H27NO5.ClH/c1-27-20-9-6-17(14-22(20)28-2)15-23-24(26)19-8-7-18(16-21(19)30-23)29-13-5-12-25-10-3-4-11-25;/h6-9,14-16H,3-5,10-13H2,1-2H3;1H/b23-15-;	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	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...				Bioorg Med Chem 23: 231-40 (2014) Article DOI: 10.1016/j.bmc.2014.11.004 BindingDB Entry DOI: 10.7270/Q2V126FS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50040164 (CHEMBL3359489) Show SMILES Cl.COc1cccc(\C=C2/Oc3cc(OCCCN4CCCC4)ccc3C2=O)c1OC Show InChI InChI=1S/C24H27NO5.ClH/c1-27-20-8-5-7-17(24(20)28-2)15-22-23(26)19-10-9-18(16-21(19)30-22)29-14-6-13-25-11-3-4-12-25;/h5,7-10,15-16H,3-4,6,11-14H2,1-2H3;1H/b22-15-;	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	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...				Bioorg Med Chem 23: 231-40 (2014) Article DOI: 10.1016/j.bmc.2014.11.004 BindingDB Entry DOI: 10.7270/Q2V126FS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50040211 (CHEMBL3359474) Show SMILES Cl.COc1cc(\C=C2/Oc3cc(OCCN4CCCCC4)ccc3C2=O)cc(OC)c1OC Show InChI InChI=1S/C25H29NO6.ClH/c1-28-22-14-17(15-23(29-2)25(22)30-3)13-21-24(27)19-8-7-18(16-20(19)32-21)31-12-11-26-9-5-4-6-10-26;/h7-8,13-16H,4-6,9-12H2,1-3H3;1H/b21-13-;	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	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...				Bioorg Med Chem 23: 231-40 (2014) Article DOI: 10.1016/j.bmc.2014.11.004 BindingDB Entry DOI: 10.7270/Q2V126FS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50040214 (CHEMBL3359471) Show SMILES Cl.COc1cccc(\C=C2/Oc3cc(OCCN4CCCCC4)ccc3C2=O)c1 Show InChI InChI=1S/C23H25NO4.ClH/c1-26-18-7-5-6-17(14-18)15-22-23(25)20-9-8-19(16-21(20)28-22)27-13-12-24-10-3-2-4-11-24;/h5-9,14-16H,2-4,10-13H2,1H3;1H/b22-15-;	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	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...				Bioorg Med Chem 23: 231-40 (2014) Article DOI: 10.1016/j.bmc.2014.11.004 BindingDB Entry DOI: 10.7270/Q2V126FS
					More data for this Ligand-Target Pair

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