Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for entry = 50011542   

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 A member 1 (Rattus norvegicus)	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of allylisothiocyanate-induced Ca2+ response preincubated for 5 min...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00668 BindingDB Entry DOI: 10.7270/Q2ZW1QJH
					More data for this Ligand-Target Pair
Heat sensitive channel TRPV3 (Rattus norvegicus)	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at rat TRPV3 expressed in HEK293 cells assessed as inhibition of thymol-induced Ca2+ response preincubated for 5 mins followed by...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00668 BindingDB Entry DOI: 10.7270/Q2ZW1QJH
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2 (Rattus norvegicus)	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ response preincubated for 5 mins followed by LP...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00668 BindingDB Entry DOI: 10.7270/Q2ZW1QJH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transient receptor potential cation channel subfamily M member 8 (Rattus norvegicus (Rat))	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced Ca2+ response preincubated for 5 mins followed by...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00668 BindingDB Entry DOI: 10.7270/Q2ZW1QJH
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced Ca2+ response preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00668 BindingDB Entry DOI: 10.7270/Q2ZW1QJH
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (Rattus norvegicus (Rat))	BDBM50548384 (CHEMBL4762439) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1Cc1c(CCCCC)cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c1O |r,t:11,38| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced Ca2+ response preincubated for 5 mins followed by...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00668 BindingDB Entry DOI: 10.7270/Q2ZW1QJH
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50548384 (CHEMBL4762439) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1Cc1c(CCCCC)cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c1O |r,t:11,38| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of allylisothiocyanate-induced Ca2+ response preincubated for 5 min...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00668 BindingDB Entry DOI: 10.7270/Q2ZW1QJH
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Rattus norvegicus)	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK1016790A-induced Ca2+ response preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00668 BindingDB Entry DOI: 10.7270/Q2ZW1QJH
					More data for this Ligand-Target Pair
Heat sensitive channel TRPV3 (Rattus norvegicus)	BDBM50548384 (CHEMBL4762439) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1Cc1c(CCCCC)cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c1O |r,t:11,38| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at rat TRPV3 expressed in HEK293 cells assessed as inhibition of thymol-induced Ca2+ response preincubated for 5 mins followed by...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00668 BindingDB Entry DOI: 10.7270/Q2ZW1QJH
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50548384 (CHEMBL4762439) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1Cc1c(CCCCC)cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c1O |r,t:11,38| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced Ca2+ response preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00668 BindingDB Entry DOI: 10.7270/Q2ZW1QJH
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Rattus norvegicus)	BDBM50548384 (CHEMBL4762439) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1Cc1c(CCCCC)cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c1O |r,t:11,38| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK1016790A-induced Ca2+ response preincubated for 5 mins follow...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00668 BindingDB Entry DOI: 10.7270/Q2ZW1QJH
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2 (Rattus norvegicus)	BDBM50548384 (CHEMBL4762439) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1Cc1c(CCCCC)cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c1O |r,t:11,38| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ response preincubated for 5 mins followed by LP...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00668 BindingDB Entry DOI: 10.7270/Q2ZW1QJH
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50548384 (CHEMBL4762439) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1Cc1c(CCCCC)cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c1O |r,t:11,38| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human TRPV1 stably transfected in HEK293 cells assessed as increase in calcium influx in presence of ionomycin by Fluo-4-AM dye b...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00668 BindingDB Entry DOI: 10.7270/Q2ZW1QJH
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human TRPV1 stably transfected in HEK293 cells assessed as increase in calcium influx in presence of ionomycin by Fluo-4-AM dye b...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00668 BindingDB Entry DOI: 10.7270/Q2ZW1QJH
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2 (Rattus norvegicus)	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at rat TRPV2 stably transfected in HEK293 cells assessed as increase in calcium influx in presence of ionomycin by Fluo-4-AM dye bas...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00668 BindingDB Entry DOI: 10.7270/Q2ZW1QJH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50548384 (CHEMBL4762439) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1Cc1c(CCCCC)cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c1O |r,t:11,38| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at rat TRPA1 stably transfected in HEK293 cells assessed as increase in calcium influx in presence of allylisothiocyanate by Fluo-4-...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00668 BindingDB Entry DOI: 10.7270/Q2ZW1QJH
					More data for this Ligand-Target Pair
Heat sensitive channel TRPV3 (Rattus norvegicus)	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	510	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at rat TRPV3 stably transfected in HEK293 cells assessed as increase in calcium influx in presence of ionomycin by Fluo-4-AM dye bas...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00668 BindingDB Entry DOI: 10.7270/Q2ZW1QJH
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	480	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at rat TRPA1 stably transfected in HEK293 cells assessed as increase in calcium influx in presence of allylisothiocyanate by Fluo-4-...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00668 BindingDB Entry DOI: 10.7270/Q2ZW1QJH
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Rattus norvegicus)	BDBM50548384 (CHEMBL4762439) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1Cc1c(CCCCC)cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c1O |r,t:11,38| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at rat TRPV4 stably transfected in HEK293 cells assessed as increase in calcium influx in presence of ionomycin by Fluo-4-AM dye bas...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00668 BindingDB Entry DOI: 10.7270/Q2ZW1QJH
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Rattus norvegicus)	BDBM50318484 (2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at rat TRPV4 stably transfected in HEK293 cells assessed as increase in calcium influx in presence of ionomycin by Fluo-4-AM dye bas...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00668 BindingDB Entry DOI: 10.7270/Q2ZW1QJH
					More data for this Ligand-Target Pair
Heat sensitive channel TRPV3 (Rattus norvegicus)	BDBM50548384 (CHEMBL4762439) Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1Cc1c(CCCCC)cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c1O |r,t:11,38| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at rat TRPV3 stably transfected in HEK293 cells assessed as increase in calcium influx in presence of ionomycin by Fluo-4-AM dye bas...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c00668 BindingDB Entry DOI: 10.7270/Q2ZW1QJH
					More data for this Ligand-Target Pair