Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 7133   

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 (Rattus norvegicus (rat))	BDBM176555 (US9120756, 17) Show SMILES C[C@H](C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C24H28ClFN4O3S/c1-15(16-9-10-21(20(26)11-16)29-34(5,32)33)23(31)27-14-19-13-22(24(2,3)4)28-30(19)18-8-6-7-17(25)12-18/h6-13,15,29H,14H2,1-5H3,(H,27,31)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gruenenthal GmbH US Patent					Assay Description The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...				US Patent US9120756 (2015) BindingDB Entry DOI: 10.7270/Q26D5RRG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM176564 (US9120756, 26) Show SMILES C[C@H](C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C21H19ClF4N4O3S/c1-12(13-6-7-18(17(23)8-13)29-34(2,32)33)20(31)27-11-16-10-19(21(24,25)26)28-30(16)15-5-3-4-14(22)9-15/h3-10,12,29H,11H2,1-2H3,(H,27,31)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gruenenthal GmbH US Patent					Assay Description The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...				US Patent US9120756 (2015) BindingDB Entry DOI: 10.7270/Q26D5RRG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM176554 (US9120756, 16) Show SMILES CC(C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C24H28ClFN4O3S/c1-15(16-9-10-21(20(26)11-16)29-34(5,32)33)23(31)27-14-19-13-22(24(2,3)4)28-30(19)18-8-6-7-17(25)12-18/h6-13,15,29H,14H2,1-5H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gruenenthal GmbH US Patent					Assay Description The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...				US Patent US9120756 (2015) BindingDB Entry DOI: 10.7270/Q26D5RRG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM176549 (US9120756, 7) Show SMILES CC(C(=O)NCc1cc(nn1C1CCCCC1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C24H35FN4O3S/c1-16(17-11-12-21(20(25)13-17)28-33(5,31)32)23(30)26-15-19-14-22(24(2,3)4)27-29(19)18-9-7-6-8-10-18/h11-14,16,18,28H,6-10,15H2,1-5H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gruenenthal GmbH US Patent					Assay Description The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...				US Patent US9120756 (2015) BindingDB Entry DOI: 10.7270/Q26D5RRG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM176562 (US9120756, 24) Show SMILES CC(C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C21H19ClF4N4O3S/c1-12(13-6-7-18(17(23)8-13)29-34(2,32)33)20(31)27-11-16-10-19(21(24,25)26)28-30(16)15-5-3-4-14(22)9-15/h3-10,12,29H,11H2,1-2H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gruenenthal GmbH US Patent					Assay Description The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...				US Patent US9120756 (2015) BindingDB Entry DOI: 10.7270/Q26D5RRG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM176561 (US9120756, 23) Show SMILES C[C@H](C(=O)NCc1cc(nn1-c1ccc(Cl)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C21H19ClF4N4O3S/c1-12(13-3-8-18(17(23)9-13)29-34(2,32)33)20(31)27-11-16-10-19(21(24,25)26)28-30(16)15-6-4-14(22)5-7-15/h3-10,12,29H,11H2,1-2H3,(H,27,31)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gruenenthal GmbH US Patent					Assay Description The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...				US Patent US9120756 (2015) BindingDB Entry DOI: 10.7270/Q26D5RRG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM176565 (US9120756, 27) Show SMILES COc1cc(ccc1NS(C)(=O)=O)C(C)C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(C)(C)C Show InChI InChI=1S/C25H31ClN4O4S/c1-16(17-10-11-21(22(12-17)34-5)29-35(6,32)33)24(31)27-15-20-14-23(25(2,3)4)28-30(20)19-9-7-8-18(26)13-19/h7-14,16,29H,15H2,1-6H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gruenenthal GmbH US Patent					Assay Description The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...				US Patent US9120756 (2015) BindingDB Entry DOI: 10.7270/Q26D5RRG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM176559 (US9120756, 21) Show SMILES CC(C(=O)NCc1cc(nn1-c1ccc(Cl)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C21H19ClF4N4O3S/c1-12(13-3-8-18(17(23)9-13)29-34(2,32)33)20(31)27-11-16-10-19(21(24,25)26)28-30(16)15-6-4-14(22)5-7-15/h3-10,12,29H,11H2,1-2H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gruenenthal GmbH US Patent					Assay Description The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...				US Patent US9120756 (2015) BindingDB Entry DOI: 10.7270/Q26D5RRG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM176553 (US9120756, 15) Show SMILES C[C@H](C(=O)NCc1cc(nn1-c1ccc(Cl)cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C24H28ClFN4O3S/c1-15(16-6-11-21(20(26)12-16)29-34(5,32)33)23(31)27-14-19-13-22(24(2,3)4)28-30(19)18-9-7-17(25)8-10-18/h6-13,15,29H,14H2,1-5H3,(H,27,31)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gruenenthal GmbH US Patent					Assay Description The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...				US Patent US9120756 (2015) BindingDB Entry DOI: 10.7270/Q26D5RRG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM176563 (US9120756, 25) Show SMILES C[C@@H](C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C21H19ClF4N4O3S/c1-12(13-6-7-18(17(23)8-13)29-34(2,32)33)20(31)27-11-16-10-19(21(24,25)26)28-30(16)15-5-3-4-14(22)9-15/h3-10,12,29H,11H2,1-2H3,(H,27,31)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gruenenthal GmbH US Patent					Assay Description The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...				US Patent US9120756 (2015) BindingDB Entry DOI: 10.7270/Q26D5RRG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM176550 (US9120756, 12) Show SMILES CC(C(=O)NCc1cc(nn1-c1ccc(C)cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C25H31FN4O3S/c1-16-7-10-19(11-8-16)30-20(14-23(28-30)25(3,4)5)15-27-24(31)17(2)18-9-12-22(21(26)13-18)29-34(6,32)33/h7-14,17,29H,15H2,1-6H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gruenenthal GmbH US Patent					Assay Description The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...				US Patent US9120756 (2015) BindingDB Entry DOI: 10.7270/Q26D5RRG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM176552 (US9120756, 14) Show SMILES CC(C(=O)NCc1cc(nn1-c1ccc(Cl)cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C24H28ClFN4O3S/c1-15(16-6-11-21(20(26)12-16)29-34(5,32)33)23(31)27-14-19-13-22(24(2,3)4)28-30(19)18-9-7-17(25)8-10-18/h6-13,15,29H,14H2,1-5H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gruenenthal GmbH US Patent					Assay Description The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...				US Patent US9120756 (2015) BindingDB Entry DOI: 10.7270/Q26D5RRG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM176548 (US9120756, 6) Show SMILES CCCCCCn1nc(cc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1)C(C)(C)C Show InChI InChI=1S/C24H37FN4O3S/c1-7-8-9-10-13-29-19(15-22(27-29)24(3,4)5)16-26-23(30)17(2)18-11-12-21(20(25)14-18)28-33(6,31)32/h11-12,14-15,17,28H,7-10,13,16H2,1-6H3,(H,26,30)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	14.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gruenenthal GmbH US Patent					Assay Description The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...				US Patent US9120756 (2015) BindingDB Entry DOI: 10.7270/Q26D5RRG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM176585 (US9120756, 141) Show SMILES CC(C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F)c1ccc(c(F)c1)C(F)(F)F Show InChI InChI=1S/C21H15ClF7N3O/c1-11(12-5-6-16(17(23)7-12)20(24,25)26)19(33)30-10-15-9-18(21(27,28)29)31-32(15)14-4-2-3-13(22)8-14/h2-9,11H,10H2,1H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	25.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gruenenthal GmbH US Patent					Assay Description The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...				US Patent US9120756 (2015) BindingDB Entry DOI: 10.7270/Q26D5RRG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM176551 (US9120756, 13) Show SMILES CC(C(=O)NCc1cc(nn1-c1ccc(cc1)C(C)(C)C)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C28H37FN4O3S/c1-18(19-9-14-24(23(29)15-19)32-37(8,35)36)26(34)30-17-22-16-25(28(5,6)7)31-33(22)21-12-10-20(11-13-21)27(2,3)4/h9-16,18,32H,17H2,1-8H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	25.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gruenenthal GmbH US Patent					Assay Description The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...				US Patent US9120756 (2015) BindingDB Entry DOI: 10.7270/Q26D5RRG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM176560 (US9120756, 22) Show SMILES C[C@@H](C(=O)NCc1cc(nn1-c1ccc(Cl)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C21H19ClF4N4O3S/c1-12(13-3-8-18(17(23)9-13)29-34(2,32)33)20(31)27-11-16-10-19(21(24,25)26)28-30(16)15-6-4-14(22)5-7-15/h3-10,12,29H,11H2,1-2H3,(H,27,31)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	42.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gruenenthal GmbH US Patent					Assay Description The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...				US Patent US9120756 (2015) BindingDB Entry DOI: 10.7270/Q26D5RRG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM176575 (US9120756, 74) Show SMILES Fc1cccc(CC(=O)NCc2cc(nn2-c2cccc(Cl)c2)C(F)(F)F)c1 Show InChI InChI=1S/C19H14ClF4N3O/c20-13-4-2-6-15(9-13)27-16(10-17(26-27)19(22,23)24)11-25-18(28)8-12-3-1-5-14(21)7-12/h1-7,9-10H,8,11H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gruenenthal GmbH US Patent					Assay Description The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...				US Patent US9120756 (2015) BindingDB Entry DOI: 10.7270/Q26D5RRG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM176557 (US9120756, 19) Show SMILES CC(C(=O)NCc1cc(nn1\C=C\c1ccc(C)cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 Show InChI InChI=1S/C27H33FN4O3S/c1-18-7-9-20(10-8-18)13-14-32-22(16-25(30-32)27(3,4)5)17-29-26(33)19(2)21-11-12-24(23(28)15-21)31-36(6,34)35/h7-16,19,31H,17H2,1-6H3,(H,29,33)/b14-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	819	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gruenenthal GmbH US Patent					Assay Description The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...				US Patent US9120756 (2015) BindingDB Entry DOI: 10.7270/Q26D5RRG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM176558 (US9120756, 20) Show SMILES COc1ccc(cc1)-n1nc(cc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(C)(C)C Show InChI InChI=1S/C25H31FN4O4S/c1-16(17-7-12-22(21(26)13-17)29-35(6,32)33)24(31)27-15-19-14-23(25(2,3)4)28-30(19)18-8-10-20(34-5)11-9-18/h7-14,16,29H,15H2,1-6H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gruenenthal GmbH US Patent					Assay Description The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...				US Patent US9120756 (2015) BindingDB Entry DOI: 10.7270/Q26D5RRG
					More data for this Ligand-Target Pair