Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50047844   

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))	BDBM50016250 (CHEMBL81925) Show SMILES CN1C2N(CCc3c2[nH]c2ccccc32)C(=O)c2ccccc12 Show InChI InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Partial antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced inward current at -60 mV holding poten...				J Nat Prod 79: 1225-30 (2016) Article DOI: 10.1021/acs.jnatprod.5b00599 BindingDB Entry DOI: 10.7270/Q2M047D0
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50016250 (CHEMBL81925) Show SMILES CN1C2N(CCc3c2[nH]c2ccccc32)C(=O)c2ccccc12 Show InChI InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	860	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at rat TRPV1 expressed in CHO cells assessed as induction of 45Ca2+ uptake measured after 5 mins by scintillation counting method				J Nat Prod 79: 1225-30 (2016) Article DOI: 10.1021/acs.jnatprod.5b00599 BindingDB Entry DOI: 10.7270/Q2M047D0
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50016250 (CHEMBL81925) Show SMILES CN1C2N(CCc3c2[nH]c2ccccc32)C(=O)c2ccccc12 Show InChI InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Partial antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as capsaicin EC50 for induction of channel current at 0.1 uM at -60 mV ho...				J Nat Prod 79: 1225-30 (2016) Article DOI: 10.1021/acs.jnatprod.5b00599 BindingDB Entry DOI: 10.7270/Q2M047D0
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50016250 (CHEMBL81925) Show SMILES CN1C2N(CCc3c2[nH]c2ccccc32)C(=O)c2ccccc12 Show InChI InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	860	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at rat TRPV1 expressed in CHO cells assessed as induction of 45Ca2+ uptake measured after 5 mins by scintillation counting method				J Nat Prod 79: 1225-30 (2016) Article DOI: 10.1021/acs.jnatprod.5b00599 BindingDB Entry DOI: 10.7270/Q2M047D0
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50016250 (CHEMBL81925) Show SMILES CN1C2N(CCc3c2[nH]c2ccccc32)C(=O)c2ccccc12 Show InChI InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	180	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Partial antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as capsaicin EC50 for induction of channel current at 0.6 uM at -60 mV ho...				J Nat Prod 79: 1225-30 (2016) Article DOI: 10.1021/acs.jnatprod.5b00599 BindingDB Entry DOI: 10.7270/Q2M047D0
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50016250 (CHEMBL81925) Show SMILES CN1C2N(CCc3c2[nH]c2ccccc32)C(=O)c2ccccc12 Show InChI InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.38E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Partial antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as capsaicin EC50 for induction of channel current at 10 uM at -60 mV hol...				J Nat Prod 79: 1225-30 (2016) Article DOI: 10.1021/acs.jnatprod.5b00599 BindingDB Entry DOI: 10.7270/Q2M047D0
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50016250 (CHEMBL81925) Show SMILES CN1C2N(CCc3c2[nH]c2ccccc32)C(=O)c2ccccc12 Show InChI InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at rat TRPV1 channel expressed in HEK293 cells assessed as induction of channel current at -60 mV holding potential by whole-cell pa...				J Nat Prod 79: 1225-30 (2016) Article DOI: 10.1021/acs.jnatprod.5b00599 BindingDB Entry DOI: 10.7270/Q2M047D0
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50131046 (8,13-Dihydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quin...) Show SMILES O=c1n2CCc3c([nH]c4ccccc34)-c2nc2ccccc12 Show InChI InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.06E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at rat TRPV1 channel expressed in HEK293 cells assessed as induction of channel current at -60 mV holding potential by whole-cell pa...				J Nat Prod 79: 1225-30 (2016) Article DOI: 10.1021/acs.jnatprod.5b00599 BindingDB Entry DOI: 10.7270/Q2M047D0
					More data for this Ligand-Target Pair