Compile Data Set for Download or QSAR

Found 206 hits with Last Name = 'hong' and Initial = 'sh'   

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
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046377 (CHEMBL3314406) Show SMILES CC(C(=O)NCc1ccc(nc1C1=C[C@H](C)CCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r,t:13| Show InChI InChI=1S/C24H27F4N3O3S/c1-14-5-4-6-17(11-14)22-18(8-10-21(30-22)24(26,27)28)13-29-23(32)15(2)16-7-9-20(19(25)12-16)31-35(3,33)34/h7-12,14-15,31H,4-6,13H2,1-3H3,(H,29,32)/t14-,15?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046379 (CHEMBL3314407) Show SMILES CCC1CCC(=CC1)c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F |c:5| Show InChI InChI=1S/C25H29F4N3O3S/c1-4-16-5-7-17(8-6-16)23-19(10-12-22(31-23)25(27,28)29)14-30-24(33)15(2)18-9-11-21(20(26)13-18)32-36(3,34)35/h7,9-13,15-16,32H,4-6,8,14H2,1-3H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046396 (CHEMBL3314411) Show SMILES C[C@H](C(=O)NCc1ccc(nc1C1=CCC(C)(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r,t:13| Show InChI InChI=1S/C25H29F4N3O3S/c1-15(17-5-7-20(19(26)13-17)32-36(4,34)35)23(33)30-14-18-6-8-21(25(27,28)29)31-22(18)16-9-11-24(2,3)12-10-16/h5-9,13,15,32H,10-12,14H2,1-4H3,(H,30,33)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046394 (CHEMBL3314409) Show SMILES C[C@H](C(=O)NCc1ccc(nc1C1=CCC(CC1)C(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r,t:13| Show InChI InChI=1S/C27H33F4N3O3S/c1-16(18-8-12-22(21(28)14-18)34-38(5,36)37)25(35)32-15-19-9-13-23(27(29,30)31)33-24(19)17-6-10-20(11-7-17)26(2,3)4/h6,8-9,12-14,16,20,34H,7,10-11,15H2,1-5H3,(H,32,35)/t16-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046295 (CHEMBL3314389) Show SMILES CC(C(=O)NCc1ccc(nc1C1CCCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C23H27F4N3O3S/c1-14(16-8-10-19(18(24)12-16)30-34(2,32)33)22(31)28-13-17-9-11-20(23(25,26)27)29-21(17)15-6-4-3-5-7-15/h8-12,14-15,30H,3-7,13H2,1-2H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of N-arachidonoyl dopamine-induced increase in intracellular Ca2+ le...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50398494 (CHEMBL2177429) Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r| Show InChI InChI=1S/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046282 (CHEMBL3314377) Show SMILES CC(C(=O)NCc1ccc(nc1Cl)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C17H16ClF4N3O3S/c1-9(10-3-5-13(12(19)7-10)25-29(2,27)28)16(26)23-8-11-4-6-14(17(20,21)22)24-15(11)18/h3-7,9,25H,8H2,1-2H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046395 (CHEMBL3314410) Show SMILES CC(C(=O)NCc1ccc(nc1C1=CCC(C)(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |t:13| Show InChI InChI=1S/C25H29F4N3O3S/c1-15(17-5-7-20(19(26)13-17)32-36(4,34)35)23(33)30-14-18-6-8-21(25(27,28)29)31-22(18)16-9-11-24(2,3)12-10-16/h5-9,13,15,32H,10-12,14H2,1-4H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046388 (CHEMBL3314408) Show SMILES CC(C(=O)NCc1ccc(nc1C1=CCC(CC1)C(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |t:13| Show InChI InChI=1S/C27H33F4N3O3S/c1-16(18-8-12-22(21(28)14-18)34-38(5,36)37)25(35)32-15-19-9-13-23(27(29,30)31)33-24(19)17-6-10-20(11-7-17)26(2,3)4/h6,8-9,12-14,16,20,34H,7,10-11,15H2,1-5H3,(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046375 (CHEMBL3314405) Show SMILES CC(C(=O)NCc1ccc(nc1C1=CC(C)CCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |t:13| Show InChI InChI=1S/C24H27F4N3O3S/c1-14-5-4-6-17(11-14)22-18(8-10-21(30-22)24(26,27)28)13-29-23(32)15(2)16-7-9-20(19(25)12-16)31-35(3,33)34/h7-12,14-15,31H,4-6,13H2,1-3H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046366 (CHEMBL3314404) Show SMILES C[C@H](C(=O)NCc1ccc(nc1C1=CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r,t:13| Show InChI InChI=1S/C24H27F4N3O3S/c1-14-4-6-16(7-5-14)22-18(9-11-21(30-22)24(26,27)28)13-29-23(32)15(2)17-8-10-20(19(25)12-17)31-35(3,33)34/h6,8-12,14-15,31H,4-5,7,13H2,1-3H3,(H,29,32)/t14?,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046299 (CHEMBL3314393) Show SMILES CCC1CCC(CC1)c1nc(ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F |r,wU:18.20,(10.24,-14.41,;8.9,-13.63,;8.91,-12.08,;7.58,-11.3,;7.58,-9.77,;8.92,-9,;10.25,-9.76,;10.24,-11.31,;8.92,-7.46,;7.59,-6.69,;7.59,-5.14,;8.92,-4.37,;10.25,-5.13,;10.26,-6.68,;11.59,-7.45,;12.92,-6.68,;14.26,-7.45,;14.26,-8.99,;15.59,-6.68,;15.59,-5.14,;16.93,-7.44,;16.92,-8.98,;18.25,-9.75,;19.59,-8.98,;20.92,-9.75,;22.26,-8.97,;23.59,-9.74,;23.02,-7.64,;21.48,-7.64,;19.58,-7.43,;20.91,-6.66,;18.25,-6.67,;6.25,-4.37,;6.25,-2.83,;4.92,-5.14,;4.92,-3.6,)| Show InChI InChI=1S/C25H31F4N3O3S/c1-4-16-5-7-17(8-6-16)23-19(10-12-22(31-23)25(27,28)29)14-30-24(33)15(2)18-9-11-21(20(26)13-18)32-36(3,34)35/h9-13,15-17,32H,4-8,14H2,1-3H3,(H,30,33)/t15-,16?,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046341 (CHEMBL3314403) Show SMILES CC(C(=O)NCc1ccc(nc1C1=CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |t:13| Show InChI InChI=1S/C24H27F4N3O3S/c1-14-4-6-16(7-5-14)22-18(9-11-21(30-22)24(26,27)28)13-29-23(32)15(2)17-8-10-20(19(25)12-17)31-35(3,33)34/h6,8-12,14-15,31H,4-5,7,13H2,1-3H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046304 (CHEMBL3314398) Show SMILES C[C@H](C(=O)NCc1ccc(nc1C1CCC(C)(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r| Show InChI InChI=1S/C25H31F4N3O3S/c1-15(17-5-7-20(19(26)13-17)32-36(4,34)35)23(33)30-14-18-6-8-21(25(27,28)29)31-22(18)16-9-11-24(2,3)12-10-16/h5-8,13,15-16,32H,9-12,14H2,1-4H3,(H,30,33)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046296 (CHEMBL3314390) Show SMILES C[C@H](C(=O)NCc1ccc(nc1C1CCCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r| Show InChI InChI=1S/C23H27F4N3O3S/c1-14(16-8-10-19(18(24)12-16)30-34(2,32)33)22(31)28-13-17-9-11-20(23(25,26)27)29-21(17)15-6-4-3-5-7-15/h8-12,14-15,30H,3-7,13H2,1-2H3,(H,28,31)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046298 (CHEMBL3314392) Show SMILES CCC1CCC(CC1)c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F |(10.24,-14.41,;8.9,-13.63,;8.91,-12.08,;7.58,-11.3,;7.58,-9.77,;8.92,-9,;10.25,-9.76,;10.24,-11.31,;8.92,-7.46,;7.59,-6.69,;7.59,-5.14,;8.92,-4.37,;10.25,-5.13,;10.26,-6.68,;11.59,-7.45,;12.92,-6.68,;14.26,-7.45,;14.26,-8.99,;15.59,-6.68,;15.59,-5.14,;16.93,-7.44,;16.92,-8.98,;18.25,-9.75,;19.59,-8.98,;20.92,-9.75,;22.26,-8.97,;23.59,-9.74,;23.02,-7.64,;21.48,-7.64,;19.58,-7.43,;20.91,-6.66,;18.25,-6.67,;6.25,-4.37,;6.25,-2.83,;4.92,-5.14,;4.92,-3.6,)| Show InChI InChI=1S/C25H31F4N3O3S/c1-4-16-5-7-17(8-6-16)23-19(10-12-22(31-23)25(27,28)29)14-30-24(33)15(2)18-9-11-21(20(26)13-18)32-36(3,34)35/h9-13,15-17,32H,4-8,14H2,1-3H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046302 (CHEMBL3314396) Show SMILES CC(C(=O)NCc1ccc(nc1[C@H]1CC[C@@H](CC1)C(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r,wU:12.12,wD:15.19,(15.59,-5.14,;15.59,-6.68,;14.26,-7.45,;14.26,-8.99,;12.92,-6.68,;11.59,-7.45,;10.26,-6.68,;10.25,-5.13,;8.92,-4.37,;7.59,-5.14,;7.59,-6.68,;8.92,-7.46,;8.92,-8.99,;10.25,-9.76,;10.24,-11.31,;8.91,-12.07,;7.58,-11.3,;7.58,-9.76,;8.9,-13.63,;10.24,-14.41,;7.55,-14.4,;8.9,-15.18,;6.25,-4.37,;6.25,-2.83,;4.92,-5.14,;4.91,-3.6,;16.93,-7.44,;16.92,-8.98,;18.25,-9.75,;19.59,-8.98,;20.92,-9.75,;22.25,-8.97,;23.59,-9.74,;23.02,-7.64,;21.48,-7.64,;19.58,-7.43,;20.91,-6.66,;18.24,-6.67,)| Show InChI InChI=1S/C27H35F4N3O3S/c1-16(18-8-12-22(21(28)14-18)34-38(5,36)37)25(35)32-15-19-9-13-23(27(29,30)31)33-24(19)17-6-10-20(11-7-17)26(2,3)4/h8-9,12-14,16-17,20,34H,6-7,10-11,15H2,1-5H3,(H,32,35)/t16?,17-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046300 (CHEMBL3314394) Show SMILES CC(C(=O)NCc1ccc(nc1C1CCC(CC1)C(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |(15.59,-5.14,;15.59,-6.68,;14.26,-7.45,;14.26,-8.99,;12.92,-6.68,;11.59,-7.45,;10.26,-6.68,;10.25,-5.13,;8.92,-4.37,;7.59,-5.14,;7.59,-6.68,;8.92,-7.46,;8.92,-8.99,;7.58,-9.76,;7.58,-11.3,;8.91,-12.07,;10.24,-11.31,;10.25,-9.76,;8.9,-13.63,;10.24,-14.41,;7.55,-14.4,;8.9,-15.18,;6.25,-4.37,;6.25,-2.83,;4.92,-5.14,;4.91,-3.6,;16.93,-7.44,;16.92,-8.98,;18.25,-9.75,;19.59,-8.98,;20.92,-9.75,;22.25,-8.97,;23.59,-9.74,;23.02,-7.64,;21.48,-7.64,;19.58,-7.43,;20.91,-6.66,;18.24,-6.67,)| Show InChI InChI=1S/C27H35F4N3O3S/c1-16(18-8-12-22(21(28)14-18)34-38(5,36)37)25(35)32-15-19-9-13-23(27(29,30)31)33-24(19)17-6-10-20(11-7-17)26(2,3)4/h8-9,12-14,16-17,20,34H,6-7,10-11,15H2,1-5H3,(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046303 (CHEMBL3314397) Show SMILES CC(C(=O)NCc1ccc(nc1C1CCC(C)(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C25H31F4N3O3S/c1-15(17-5-7-20(19(26)13-17)32-36(4,34)35)23(33)30-14-18-6-8-21(25(27,28)29)31-22(18)16-9-11-24(2,3)12-10-16/h5-8,13,15-16,32H,9-12,14H2,1-4H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046297 (CHEMBL3314391) Show SMILES CC(C(=O)NCc1ccc(nc1C1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |(15.59,-5.14,;15.59,-6.68,;14.26,-7.45,;14.26,-8.99,;12.92,-6.68,;11.59,-7.45,;10.26,-6.68,;10.25,-5.13,;8.92,-4.37,;7.59,-5.14,;7.59,-6.69,;8.92,-7.46,;8.92,-9,;7.58,-9.77,;7.58,-11.3,;8.91,-12.08,;8.9,-13.63,;10.24,-11.31,;10.25,-9.76,;6.25,-4.37,;6.25,-2.83,;4.92,-5.14,;4.92,-3.6,;16.93,-7.44,;16.92,-8.98,;18.25,-9.75,;19.59,-8.98,;20.92,-9.75,;22.26,-8.97,;23.59,-9.74,;23.02,-7.64,;21.48,-7.64,;19.58,-7.43,;20.91,-6.66,;18.25,-6.67,)| Show InChI InChI=1S/C24H29F4N3O3S/c1-14-4-6-16(7-5-14)22-18(9-11-21(30-22)24(26,27)28)13-29-23(32)15(2)17-8-10-20(19(25)12-17)31-35(3,33)34/h8-12,14-16,31H,4-7,13H2,1-3H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046295 (CHEMBL3314389) Show SMILES CC(C(=O)NCc1ccc(nc1C1CCCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C23H27F4N3O3S/c1-14(16-8-10-19(18(24)12-16)30-34(2,32)33)22(31)28-13-17-9-11-20(23(25,26)27)29-21(17)15-6-4-3-5-7-15/h8-12,14-15,30H,3-7,13H2,1-2H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046289 (CHEMBL3314383) Show SMILES CC(C(=O)NCc1ccc(nc1CCC(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C23H29F4N3O3S/c1-14(15-6-8-19(17(24)12-15)30-34(5,32)33)21(31)28-13-16-7-9-20(23(25,26)27)29-18(16)10-11-22(2,3)4/h6-9,12,14,30H,10-11,13H2,1-5H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046294 (CHEMBL3314388) Show SMILES CC(C(=O)NCc1ccc(nc1\C=C\C1CCCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C25H29F4N3O3S/c1-16(18-9-12-22(20(26)14-18)32-36(2,34)35)24(33)30-15-19-10-13-23(25(27,28)29)31-21(19)11-8-17-6-4-3-5-7-17/h8-14,16-17,32H,3-7,15H2,1-2H3,(H,30,33)/b11-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046293 (CHEMBL3314387) Show SMILES CC(C(=O)NCc1ccc(nc1\C=C\C(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C23H27F4N3O3S/c1-14(15-6-8-19(17(24)12-15)30-34(5,32)33)21(31)28-13-16-7-9-20(23(25,26)27)29-18(16)10-11-22(2,3)4/h6-12,14,30H,13H2,1-5H3,(H,28,31)/b11-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046308 (CHEMBL3314402) Show SMILES CC(C(=O)NCc1ccc(nc1C1=CCCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |t:13| Show InChI InChI=1S/C23H25F4N3O3S/c1-14(16-8-10-19(18(24)12-16)30-34(2,32)33)22(31)28-13-17-9-11-20(23(25,26)27)29-21(17)15-6-4-3-5-7-15/h6,8-12,14,30H,3-5,7,13H2,1-2H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046307 (CHEMBL3314401) Show SMILES C[C@H](C(=O)NCc1ccc(nc1C1CC2CCC1C2)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r| Show InChI InChI=1S/C24H27F4N3O3S/c1-13(15-5-7-20(19(25)11-15)31-35(2,33)34)23(32)29-12-17-6-8-21(24(26,27)28)30-22(17)18-10-14-3-4-16(18)9-14/h5-8,11,13-14,16,18,31H,3-4,9-10,12H2,1-2H3,(H,29,32)/t13-,14?,16?,18?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046288 (CHEMBL3314382) Show SMILES CC(C)CCCc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F Show InChI InChI=1S/C23H29F4N3O3S/c1-14(2)6-5-7-19-17(9-11-21(29-19)23(25,26)27)13-28-22(31)15(3)16-8-10-20(18(24)12-16)30-34(4,32)33/h8-12,14-15,30H,5-7,13H2,1-4H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046291 (CHEMBL3314385) Show SMILES CCC\C=C\c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F Show InChI InChI=1S/C22H25F4N3O3S/c1-4-5-6-7-18-16(9-11-20(28-18)22(24,25)26)13-27-21(30)14(2)15-8-10-19(17(23)12-15)29-33(3,31)32/h6-12,14,29H,4-5,13H2,1-3H3,(H,27,30)/b7-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046286 (CHEMBL3313936) Show SMILES CCCCCc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F Show InChI InChI=1S/C22H27F4N3O3S/c1-4-5-6-7-18-16(9-11-20(28-18)22(24,25)26)13-27-21(30)14(2)15-8-10-19(17(23)12-15)29-33(3,31)32/h8-12,14,29H,4-7,13H2,1-3H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046301 (CHEMBL3314395) Show SMILES CC(C(=O)NCc1ccc(nc1[C@H]1CC[C@H](CC1)C(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r,wU:12.12,15.19,(15.59,-5.14,;15.59,-6.68,;14.26,-7.45,;14.26,-8.99,;12.92,-6.68,;11.59,-7.45,;10.26,-6.68,;10.25,-5.13,;8.92,-4.37,;7.59,-5.14,;7.59,-6.68,;8.92,-7.46,;8.92,-8.99,;10.25,-9.76,;10.24,-11.31,;8.91,-12.07,;7.58,-11.3,;7.58,-9.76,;8.9,-13.63,;10.24,-14.41,;7.55,-14.4,;8.9,-15.18,;6.25,-4.37,;6.25,-2.83,;4.92,-5.14,;4.91,-3.6,;16.93,-7.44,;16.92,-8.98,;18.25,-9.75,;19.59,-8.98,;20.92,-9.75,;22.25,-8.97,;23.59,-9.74,;23.02,-7.64,;21.48,-7.64,;19.58,-7.43,;20.91,-6.66,;18.24,-6.67,)| Show InChI InChI=1S/C27H35F4N3O3S/c1-16(18-8-12-22(21(28)14-18)34-38(5,36)37)25(35)32-15-19-9-13-23(27(29,30)31)33-24(19)17-6-10-20(11-7-17)26(2,3)4/h8-9,12-14,16-17,20,34H,6-7,10-11,15H2,1-5H3,(H,32,35)/t16?,17-,20+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046305 (CHEMBL3314399) Show SMILES CC(C(=O)NCc1ccc(nc1C1CCC(F)(F)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C23H25F6N3O3S/c1-13(15-3-5-18(17(24)11-15)32-36(2,34)35)21(33)30-12-16-4-6-19(23(27,28)29)31-20(16)14-7-9-22(25,26)10-8-14/h3-6,11,13-14,32H,7-10,12H2,1-2H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046306 (CHEMBL3314400) Show SMILES CC(C(=O)NCc1ccc(nc1C1CC2CCC1C2)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C24H27F4N3O3S/c1-13(15-5-7-20(19(25)11-15)31-35(2,33)34)23(32)29-12-17-6-8-21(24(26,27)28)30-22(17)18-10-14-3-4-16(18)9-14/h5-8,11,13-14,16,18,31H,3-4,9-10,12H2,1-2H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046287 (CHEMBL3314381) Show SMILES CCCCCCc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F Show InChI InChI=1S/C23H29F4N3O3S/c1-4-5-6-7-8-19-17(10-12-21(29-19)23(25,26)27)14-28-22(31)15(2)16-9-11-20(18(24)13-16)30-34(3,32)33/h9-13,15,30H,4-8,14H2,1-3H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046292 (CHEMBL3314386) Show SMILES CCC\C=C/c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F Show InChI InChI=1S/C22H25F4N3O3S/c1-4-5-6-7-18-16(9-11-20(28-18)22(24,25)26)13-27-21(30)14(2)15-8-10-19(17(23)12-15)29-33(3,31)32/h6-12,14,29H,4-5,13H2,1-3H3,(H,27,30)/b7-6-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046290 (CHEMBL3314384) Show SMILES [#6]-[#6](-[#6](=O)-[#7]-[#6]-c1ccc(nc1\[#6]=[#6](\[#6])-[#6])C(F)(F)F)-c1ccc(-[#7]S([#6])(=O)=O)c(F)c1 Show InChI InChI=1S/C21H23F4N3O3S/c1-12(2)9-18-15(6-8-19(27-18)21(23,24)25)11-26-20(29)13(3)14-5-7-17(16(22)10-14)28-32(4,30)31/h5-10,13,28H,11H2,1-4H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046285 (CHEMBL3314380) Show SMILES CCCc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F Show InChI InChI=1S/C20H23F4N3O3S/c1-4-5-16-14(7-9-18(26-16)20(22,23)24)11-25-19(28)12(2)13-6-8-17(15(21)10-13)27-31(3,29)30/h6-10,12,27H,4-5,11H2,1-3H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046283 (CHEMBL3314378) Show SMILES CC(C(=O)NCc1ccc(nc1Br)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C17H16BrF4N3O3S/c1-9(10-3-5-13(12(19)7-10)25-29(2,27)28)16(26)23-8-11-4-6-14(17(20,21)22)24-15(11)18/h3-7,9,25H,8H2,1-2H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	169	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046284 (CHEMBL3314379) Show SMILES CC(C(=O)NCc1ccc(nc1C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C18H19F4N3O3S/c1-10(12-4-6-15(14(19)8-12)25-29(3,27)28)17(26)23-9-13-5-7-16(18(20,21)22)24-11(13)2/h4-8,10,25H,9H2,1-3H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	387	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50224956 (CHEMBL253710 | N-hydroxy-2-methyl-3-(6-methyl-2-ox...) Show SMILES CC(Cc1cc2cc(C)ccc2oc1=O)C(=O)NO |w:1.0| Show InChI InChI=1S/C14H15NO4/c1-8-3-4-12-10(5-8)7-11(14(17)19-12)6-9(2)13(16)15-18/h3-5,7,9,18H,6H2,1-2H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Yonsei University Curated by ChEMBL					Assay Description Inhibition of human TACE				Bioorg Med Chem 16: 530-5 (2008) Article DOI: 10.1016/j.bmc.2007.09.014 BindingDB Entry DOI: 10.7270/Q2QF8SM7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM78940 (METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...) Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human recombinant 5HT7 receptor				Bioorg Med Chem 16: 2570-8 (2008) Article DOI: 10.1016/j.bmc.2007.11.049 BindingDB Entry DOI: 10.7270/Q2JW8FRT
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50224961 (2-benzyl-N-hydroxy-3-(6-methyl-2-oxo-2H-chromen-3-...) Show SMILES Cc1ccc2oc(=O)c(CC(Cc3ccccc3)C(=O)NO)cc2c1 |w:10.10| Show InChI InChI=1S/C20H19NO4/c1-13-7-8-18-15(9-13)11-17(20(23)25-18)12-16(19(22)21-24)10-14-5-3-2-4-6-14/h2-9,11,16,24H,10,12H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Yonsei University Curated by ChEMBL					Assay Description Inhibition of human TACE				Bioorg Med Chem 16: 530-5 (2008) Article DOI: 10.1016/j.bmc.2007.09.014 BindingDB Entry DOI: 10.7270/Q2QF8SM7
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50224959 (3-(5-(hexa-2,4-dienylidene)-2-oxo-5,6-dihydro-2H-p...) Show SMILES C\C=C\C=C/C=C1\COC(=O)C(CCC(=O)NO)=C1 |c:17| Show InChI InChI=1S/C14H17NO4/c1-2-3-4-5-6-11-9-12(14(17)19-10-11)7-8-13(16)15-18/h2-6,9,18H,7-8,10H2,1H3,(H,15,16)/b3-2+,5-4-,11-6-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Yonsei University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2				Bioorg Med Chem 16: 530-5 (2008) Article DOI: 10.1016/j.bmc.2007.09.014 BindingDB Entry DOI: 10.7270/Q2QF8SM7
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50398494 (CHEMBL2177429) Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r| Show InChI InChI=1S/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of heat-induced increase in intracellular Ca2+ level by FLIPR assay				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50375936 (CHEMBL260907) Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)CC1 Show InChI InChI=1S/C31H34FN5O3/c1-2-40-28-12-7-6-11-27(28)36-19-17-35(18-20-36)16-8-13-30(38)33-22-29-34-26-15-14-23(32)21-25(26)31(39)37(29)24-9-4-3-5-10-24/h3-7,9-12,14-15,21H,2,8,13,16-20,22H2,1H3,(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human recombinant 5HT7 receptor				Bioorg Med Chem 16: 2570-8 (2008) Article DOI: 10.1016/j.bmc.2007.11.049 BindingDB Entry DOI: 10.7270/Q2JW8FRT
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50046295 (CHEMBL3314389) Show SMILES CC(C(=O)NCc1ccc(nc1C1CCCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C23H27F4N3O3S/c1-14(16-8-10-19(18(24)12-16)30-34(2,32)33)22(31)28-13-17-9-11-20(23(25,26)27)29-21(17)15-6-4-3-5-7-15/h8-12,14-15,30H,3-7,13H2,1-2H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of heat-induced increase in intracellular Ca2+ level by FLIPR assay				Bioorg Med Chem Lett 24: 4039-43 (2014) Article DOI: 10.1016/j.bmcl.2014.05.074 BindingDB Entry DOI: 10.7270/Q2B859RZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50375924 (CHEMBL261742) Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2cccc(OC)c2)CC1 Show InChI InChI=1S/C32H36FN5O4/c1-3-42-29-11-5-4-10-28(29)37-18-16-36(17-19-37)15-7-12-31(39)34-22-30-35-27-14-13-23(33)20-26(27)32(40)38(30)24-8-6-9-25(21-24)41-2/h4-6,8-11,13-14,20-21H,3,7,12,15-19,22H2,1-2H3,(H,34,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human recombinant 5HT7 receptor				Bioorg Med Chem 16: 2570-8 (2008) Article DOI: 10.1016/j.bmc.2007.11.049 BindingDB Entry DOI: 10.7270/Q2JW8FRT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50375919 (CHEMBL406221) Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccc(OC)cc2)CC1 Show InChI InChI=1S/C32H36FN5O4/c1-3-42-29-8-5-4-7-28(29)37-19-17-36(18-20-37)16-6-9-31(39)34-22-30-35-27-15-10-23(33)21-26(27)32(40)38(30)24-11-13-25(41-2)14-12-24/h4-5,7-8,10-15,21H,3,6,9,16-20,22H2,1-2H3,(H,34,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human recombinant 5HT7 receptor				Bioorg Med Chem 16: 2570-8 (2008) Article DOI: 10.1016/j.bmc.2007.11.049 BindingDB Entry DOI: 10.7270/Q2JW8FRT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50375953 (CHEMBL258785) Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccccc2)CC1 Show InChI InChI=1S/C31H34FN5O3/c1-2-40-28-12-7-6-11-27(28)36-19-17-35(18-20-36)16-8-13-30(38)33-22-29-34-26-21-23(32)14-15-25(26)31(39)37(29)24-9-4-3-5-10-24/h3-7,9-12,14-15,21H,2,8,13,16-20,22H2,1H3,(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human recombinant 5HT7 receptor				Bioorg Med Chem 16: 2570-8 (2008) Article DOI: 10.1016/j.bmc.2007.11.049 BindingDB Entry DOI: 10.7270/Q2JW8FRT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50375970 (CHEMBL428781) Show SMILES COc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1 Show InChI InChI=1S/C30H33N5O3/c1-38-27-15-8-7-14-26(27)34-20-18-33(19-21-34)17-9-16-29(36)31-22-28-32-25-13-6-5-12-24(25)30(37)35(28)23-10-3-2-4-11-23/h2-8,10-15H,9,16-22H2,1H3,(H,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human recombinant 5HT7 receptor				Bioorg Med Chem 16: 2570-8 (2008) Article DOI: 10.1016/j.bmc.2007.11.049 BindingDB Entry DOI: 10.7270/Q2JW8FRT
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50224959 (3-(5-(hexa-2,4-dienylidene)-2-oxo-5,6-dihydro-2H-p...) Show SMILES C\C=C\C=C/C=C1\COC(=O)C(CCC(=O)NO)=C1 |c:17| Show InChI InChI=1S/C14H17NO4/c1-2-3-4-5-6-11-9-12(14(17)19-10-11)7-8-13(16)15-18/h2-6,9,18H,7-8,10H2,1H3,(H,15,16)/b3-2+,5-4-,11-6-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Yonsei University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP9				Bioorg Med Chem 16: 530-5 (2008) Article DOI: 10.1016/j.bmc.2007.09.014 BindingDB Entry DOI: 10.7270/Q2QF8SM7
					More data for this Ligand-Target Pair

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