Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50001925   

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 4 (Homo sapiens (Human))	BDBM50450513 (CHEMBL4168219) Show SMILES OC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(cc1C#N)C(F)(F)F |r| Show InChI InChI=1S/C20H15F4N3O5S/c21-16-6-15(3-1-12(16)7-25)32-18-9-27(10-19(18,29)11-28)33(30,31)17-4-2-14(20(22,23)24)5-13(17)8-26/h1-6,18,28-29H,9-11H2/t18-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human TRPV4 expressed in BHK/AC9 or HEK MSR2 cells assessed as inhibition of PF-04674114-induced Ca2+ flux pre-incubated for 1...				J Med Chem 61: 9738-9755 (2018) Article DOI: 10.1021/acs.jmedchem.8b01317 BindingDB Entry DOI: 10.7270/Q2CJ8H2P
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50450500 (CHEMBL4164465) Show SMILES OC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H15Cl2FN2O5S/c19-12-2-4-16(14(20)5-12)29(26,27)23-8-17(18(25,9-23)10-24)28-13-3-1-11(7-22)15(21)6-13/h1-6,17,24-25H,8-10H2/t17-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human TRPV4 expressed in BHK/AC9 or HEK MSR2 cells assessed as inhibition of PF-04674114-induced Ca2+ flux pre-incubated for 1...				J Med Chem 61: 9738-9755 (2018) Article DOI: 10.1021/acs.jmedchem.8b01317 BindingDB Entry DOI: 10.7270/Q2CJ8H2P
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50450500 (CHEMBL4164465) Show SMILES OC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H15Cl2FN2O5S/c19-12-2-4-16(14(20)5-12)29(26,27)23-8-17(18(25,9-23)10-24)28-13-3-1-11(7-22)15(21)6-13/h1-6,17,24-25H,8-10H2/t17-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human TRPV4 expressed in BHK/AC9 or HEK MSR2 cells assessed as inhibition of PF-04674114-induced Ca2+ flux pre-incubated for 1...				J Med Chem 61: 9738-9755 (2018) Article DOI: 10.1021/acs.jmedchem.8b01317 BindingDB Entry DOI: 10.7270/Q2CJ8H2P
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50450512 (CHEMBL4172787) Show SMILES O[C@H]1CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C17H13Cl2FN2O4S/c18-11-2-4-17(13(19)5-11)27(24,25)22-8-15(23)16(9-22)26-12-3-1-10(7-21)14(20)6-12/h1-6,15-16,23H,8-9H2/t15-,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human TRPV4 expressed in BHK/AC9 or HEK MSR2 cells assessed as inhibition of PF-04674114-induced Ca2+ flux pre-incubated for 1...				J Med Chem 61: 9738-9755 (2018) Article DOI: 10.1021/acs.jmedchem.8b01317 BindingDB Entry DOI: 10.7270/Q2CJ8H2P
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50450503 (CHEMBL3218118) Show SMILES OC1(COc2ccc(C#N)c(F)c2)CN(C1)S(=O)(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C17H13Cl2FN2O4S/c18-12-2-4-16(14(19)5-12)27(24,25)22-8-17(23,9-22)10-26-13-3-1-11(7-21)15(20)6-13/h1-6,23H,8-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human TRPV4 expressed in BHK/AC9 or HEK MSR2 cells assessed as inhibition of PF-04674114-induced Ca2+ flux pre-incubated for 1...				J Med Chem 61: 9738-9755 (2018) Article DOI: 10.1021/acs.jmedchem.8b01317 BindingDB Entry DOI: 10.7270/Q2CJ8H2P
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50450511 (CHEMBL4165555) Show SMILES OC[C@@H]1CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H15Cl2FN2O4S/c19-13-2-4-18(15(20)5-13)28(25,26)23-8-12(10-24)17(9-23)27-14-3-1-11(7-22)16(21)6-14/h1-6,12,17,24H,8-10H2/t12-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human TRPV4 expressed in BHK/AC9 or HEK MSR2 cells assessed as inhibition of PF-04674114-induced Ca2+ flux pre-incubated for 1...				J Med Chem 61: 9738-9755 (2018) Article DOI: 10.1021/acs.jmedchem.8b01317 BindingDB Entry DOI: 10.7270/Q2CJ8H2P
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50450509 (CHEMBL4173887) Show SMILES OC[C@@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H15Cl2FN2O5S/c19-12-2-4-16(14(20)5-12)29(26,27)23-8-17(18(25,9-23)10-24)28-13-3-1-11(7-22)15(21)6-13/h1-6,17,24-25H,8-10H2/t17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human TRPV4 expressed in BHK/AC9 or HEK MSR2 cells assessed as inhibition of PF-04674114-induced Ca2+ flux pre-incubated for 1...				J Med Chem 61: 9738-9755 (2018) Article DOI: 10.1021/acs.jmedchem.8b01317 BindingDB Entry DOI: 10.7270/Q2CJ8H2P
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50450499 (CHEMBL4162110) Show SMILES O[C@@H]1CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C17H13Cl2FN2O4S/c18-11-2-4-17(13(19)5-11)27(24,25)22-8-15(23)16(9-22)26-12-3-1-10(7-21)14(20)6-12/h1-6,15-16,23H,8-9H2/t15-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human TRPV4 expressed in BHK/AC9 or HEK MSR2 cells assessed as inhibition of PF-04674114-induced Ca2+ flux pre-incubated for 1...				J Med Chem 61: 9738-9755 (2018) Article DOI: 10.1021/acs.jmedchem.8b01317 BindingDB Entry DOI: 10.7270/Q2CJ8H2P
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50450502 (CHEMBL3218112) Show SMILES OC1(COc2ccc(C#N)c(F)c2)CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H17Cl2FN2O4S/c20-14-2-4-18(16(21)9-14)29(26,27)24-7-5-19(25,6-8-24)12-28-15-3-1-13(11-23)17(22)10-15/h1-4,9-10,25H,5-8,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human TRPV4 expressed in BHK/AC9 or HEK MSR2 cells assessed as inhibition of PF-04674114-induced Ca2+ flux pre-incubated for 1...				J Med Chem 61: 9738-9755 (2018) Article DOI: 10.1021/acs.jmedchem.8b01317 BindingDB Entry DOI: 10.7270/Q2CJ8H2P
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50450508 (CHEMBL4165961) Show SMILES O[C@H]1CN(C[C@]1(O)COc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H15Cl2FN2O5S/c19-12-2-4-16(14(20)5-12)29(26,27)23-8-17(24)18(25,9-23)10-28-13-3-1-11(7-22)15(21)6-13/h1-6,17,24-25H,8-10H2/t17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human TRPV4 expressed in BHK/AC9 or HEK MSR2 cells assessed as inhibition of PF-04674114-induced Ca2+ flux pre-incubated for 1...				J Med Chem 61: 9738-9755 (2018) Article DOI: 10.1021/acs.jmedchem.8b01317 BindingDB Entry DOI: 10.7270/Q2CJ8H2P
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50450505 (CHEMBL4160589) Show SMILES OC1(COc2ccc(C#N)c(F)c2)CCN(C1)S(=O)(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H15Cl2FN2O4S/c19-13-2-4-17(15(20)7-13)28(25,26)23-6-5-18(24,10-23)11-27-14-3-1-12(9-22)16(21)8-14/h1-4,7-8,24H,5-6,10-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human TRPV4 expressed in BHK/AC9 or HEK MSR2 cells assessed as inhibition of PF-04674114-induced Ca2+ flux pre-incubated for 1...				J Med Chem 61: 9738-9755 (2018) Article DOI: 10.1021/acs.jmedchem.8b01317 BindingDB Entry DOI: 10.7270/Q2CJ8H2P
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50450501 (CHEMBL4162218) Show SMILES OC[C@H]1CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H15Cl2FN2O4S/c19-13-2-4-18(15(20)5-13)28(25,26)23-8-12(10-24)17(9-23)27-14-3-1-11(7-22)16(21)6-14/h1-6,12,17,24H,8-10H2/t12-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human TRPV4 expressed in BHK/AC9 or HEK MSR2 cells assessed as inhibition of PF-04674114-induced Ca2+ flux pre-incubated for 1...				J Med Chem 61: 9738-9755 (2018) Article DOI: 10.1021/acs.jmedchem.8b01317 BindingDB Entry DOI: 10.7270/Q2CJ8H2P
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50450510 (CHEMBL4176167) Show SMILES Fc1cc(OC2CCN(C2)S(=O)(=O)c2ccc(Cl)cc2Cl)ccc1C#N Show InChI InChI=1S/C17H13Cl2FN2O3S/c18-12-2-4-17(15(19)7-12)26(23,24)22-6-5-14(10-22)25-13-3-1-11(9-21)16(20)8-13/h1-4,7-8,14H,5-6,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human TRPV4 expressed in BHK/AC9 or HEK MSR2 cells assessed as inhibition of PF-04674114-induced Ca2+ flux pre-incubated for 1...				J Med Chem 61: 9738-9755 (2018) Article DOI: 10.1021/acs.jmedchem.8b01317 BindingDB Entry DOI: 10.7270/Q2CJ8H2P
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50450507 (CHEMBL4175922) Show SMILES O[C@@H]1CN(C[C@H]1COc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H15Cl2FN2O4S/c19-13-2-4-18(15(20)5-13)28(25,26)23-8-12(17(24)9-23)10-27-14-3-1-11(7-22)16(21)6-14/h1-6,12,17,24H,8-10H2/t12-,17+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human TRPV4 expressed in BHK/AC9 or HEK MSR2 cells assessed as inhibition of PF-04674114-induced Ca2+ flux pre-incubated for 1...				J Med Chem 61: 9738-9755 (2018) Article DOI: 10.1021/acs.jmedchem.8b01317 BindingDB Entry DOI: 10.7270/Q2CJ8H2P
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50450506 (CHEMBL4165633) Show SMILES O[C@@H]1CN(C[C@@H]1COc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H15Cl2FN2O4S/c19-13-2-4-18(15(20)5-13)28(25,26)23-8-12(17(24)9-23)10-27-14-3-1-11(7-22)16(21)6-14/h1-6,12,17,24H,8-10H2/t12-,17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human TRPV4 expressed in BHK/AC9 or HEK MSR2 cells assessed as inhibition of PF-04674114-induced Ca2+ flux pre-incubated for 1...				J Med Chem 61: 9738-9755 (2018) Article DOI: 10.1021/acs.jmedchem.8b01317 BindingDB Entry DOI: 10.7270/Q2CJ8H2P
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50450504 (CHEMBL4167189) Show SMILES Fc1cc(OCC2CCN(CC2)S(=O)(=O)c2ccc(Cl)cc2Cl)ccc1C#N Show InChI InChI=1S/C19H17Cl2FN2O3S/c20-15-2-4-19(17(21)9-15)28(25,26)24-7-5-13(6-8-24)12-27-16-3-1-14(11-23)18(22)10-16/h1-4,9-10,13H,5-8,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human TRPV4 expressed in BHK/AC9 or HEK MSR2 cells assessed as inhibition of PF-04674114-induced Ca2+ flux pre-incubated for 1...				J Med Chem 61: 9738-9755 (2018) Article DOI: 10.1021/acs.jmedchem.8b01317 BindingDB Entry DOI: 10.7270/Q2CJ8H2P
					More data for this Ligand-Target Pair