Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50009181   

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))	BDBM50525948 (CHEMBL4516018) Show SMILES CC(C)c1ccc(cc1)-n1c(nc2c(F)cccc2c1=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H25FN4O/c1-15(2)16-7-9-17(10-8-16)27-21(28)18-5-4-6-19(23)20(18)24-22(27)26-13-11-25(3)12-14-26/h4-10,15H,11-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	910	n/a	n/a	n/a	n/a
Asahi Kasei Medical Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium level after 30 mins by Fura-2 AM/...				J Med Chem 62: 1468-1483 (2019) Article DOI: 10.1021/acs.jmedchem.8b01615 BindingDB Entry DOI: 10.7270/Q2HD803S
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50525947 (CHEMBL4560730) Show SMILES CN1CCN(CC1)c1nc2c(F)cccc2c(=O)n1-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C20H18F4N4O2/c1-26-9-11-27(12-10-26)19-25-17-15(3-2-4-16(17)21)18(29)28(19)13-5-7-14(8-6-13)30-20(22,23)24/h2-8H,9-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	280	n/a	n/a	n/a	n/a
Asahi Kasei Medical Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium level after 30 mins by Fura-2 AM/...				J Med Chem 62: 1468-1483 (2019) Article DOI: 10.1021/acs.jmedchem.8b01615 BindingDB Entry DOI: 10.7270/Q2HD803S
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50525950 (CHEMBL4552995) Show SMILES CN1CCN(CC1(C)C)c1nc2cc(F)ccc2c(=O)n1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H22F4N4O/c1-21(2)13-29(11-10-28(21)3)20-27-18-12-15(23)6-9-17(18)19(31)30(20)16-7-4-14(5-8-16)22(24,25)26/h4-9,12H,10-11,13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Asahi Kasei Medical Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium level after 30 mins by Fura-2 AM/...				J Med Chem 62: 1468-1483 (2019) Article DOI: 10.1021/acs.jmedchem.8b01615 BindingDB Entry DOI: 10.7270/Q2HD803S
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50525951 (CHEMBL4447367) Show SMILES CC(C)[C@H]1CN(CCN1C)c1nc2cc(F)ccc2c(=O)n1-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C23H24F4N4O/c1-14(2)20-13-30(11-10-29(20)3)22-28-19-12-16(24)6-9-18(19)21(32)31(22)17-7-4-15(5-8-17)23(25,26)27/h4-9,12,14,20H,10-11,13H2,1-3H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Asahi Kasei Medical Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium level after 30 mins by Fura-2 AM/...				J Med Chem 62: 1468-1483 (2019) Article DOI: 10.1021/acs.jmedchem.8b01615 BindingDB Entry DOI: 10.7270/Q2HD803S
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50525952 (CHEMBL4542977) Show SMILES CN1CCN(CC1)c1nc2c(F)cccc2c(=O)n1-c1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C26H25FN4O/c1-29-14-16-30(17-15-29)26-28-24-22(8-5-9-23(24)27)25(32)31(26)21-12-10-20(11-13-21)18-19-6-3-2-4-7-19/h2-13H,14-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a
Asahi Kasei Medical Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium level after 30 mins by Fura-2 AM/...				J Med Chem 62: 1468-1483 (2019) Article DOI: 10.1021/acs.jmedchem.8b01615 BindingDB Entry DOI: 10.7270/Q2HD803S
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50525953 (CHEMBL4437589) Show SMILES CN1CCN(CC1)c1nc2c(F)cccc2c(=O)n1-c1ccc(Oc2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H22F2N4O2/c1-29-13-15-30(16-14-29)25-28-23-21(3-2-4-22(23)27)24(32)31(25)18-7-11-20(12-8-18)33-19-9-5-17(26)6-10-19/h2-12H,13-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Asahi Kasei Medical Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium level after 30 mins by Fura-2 AM/...				J Med Chem 62: 1468-1483 (2019) Article DOI: 10.1021/acs.jmedchem.8b01615 BindingDB Entry DOI: 10.7270/Q2HD803S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50525954 (CHEMBL4474443) Show SMILES CN1CCN(CC1)c1nc2c(F)cccc2c(=O)n1-c1ccc(SC(F)(F)F)cc1 Show InChI InChI=1S/C20H18F4N4OS/c1-26-9-11-27(12-10-26)19-25-17-15(3-2-4-16(17)21)18(29)28(19)13-5-7-14(8-6-13)30-20(22,23)24/h2-8H,9-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Asahi Kasei Medical Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium level after 30 mins by Fura-2 AM/...				J Med Chem 62: 1468-1483 (2019) Article DOI: 10.1021/acs.jmedchem.8b01615 BindingDB Entry DOI: 10.7270/Q2HD803S
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50525955 (CHEMBL4455286) Show SMILES CN1CCN(CC1)c1nc2c(F)cccc2c(=O)n1-c1ccc(OC2CCOCC2)cc1 Show InChI InChI=1S/C24H27FN4O3/c1-27-11-13-28(14-12-27)24-26-22-20(3-2-4-21(22)25)23(30)29(24)17-5-7-18(8-6-17)32-19-9-15-31-16-10-19/h2-8,19H,9-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	870	n/a	n/a	n/a	n/a
Asahi Kasei Medical Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium level after 30 mins by Fura-2 AM/...				J Med Chem 62: 1468-1483 (2019) Article DOI: 10.1021/acs.jmedchem.8b01615 BindingDB Entry DOI: 10.7270/Q2HD803S
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50525956 (CHEMBL4465513) Show SMILES CCN1CCN(CC1)c1nc2cc(F)ccc2c(=O)n1-c1ccc(OC)cc1 Show InChI InChI=1S/C21H23FN4O2/c1-3-24-10-12-25(13-11-24)21-23-19-14-15(22)4-9-18(19)20(27)26(21)16-5-7-17(28-2)8-6-16/h4-9,14H,3,10-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a
Asahi Kasei Medical Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium level after 30 mins by Fura-2 AM/...				J Med Chem 62: 1468-1483 (2019) Article DOI: 10.1021/acs.jmedchem.8b01615 BindingDB Entry DOI: 10.7270/Q2HD803S
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50525957 (CHEMBL4461515) Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N1CCN(CC1)C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C28H32Cl2N4O6S2/c1-17(2)13-21(31-26(36)24-14-18-5-3-4-6-23(18)41-24)27(37)33-9-11-34(12-10-33)28(38)22(16-35)32-42(39,40)25-8-7-19(29)15-20(25)30/h3-8,14-15,17,21-22,32,35H,9-13,16H2,1-2H3,(H,31,36)/t21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a
Asahi Kasei Medical Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium level after 30 mins by Fura-2 AM/...				J Med Chem 62: 1468-1483 (2019) Article DOI: 10.1021/acs.jmedchem.8b01615 BindingDB Entry DOI: 10.7270/Q2HD803S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50525958 (CHEMBL4591600) Show SMILES CN1CCN(CC1)c1nc2cccc(F)c2c(=O)n1-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C20H18F4N4O2/c1-26-9-11-27(12-10-26)19-25-16-4-2-3-15(21)17(16)18(29)28(19)13-5-7-14(8-6-13)30-20(22,23)24/h2-8H,9-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a
Asahi Kasei Medical Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium level after 30 mins by Fura-2 AM/...				J Med Chem 62: 1468-1483 (2019) Article DOI: 10.1021/acs.jmedchem.8b01615 BindingDB Entry DOI: 10.7270/Q2HD803S
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50525959 (CHEMBL4454987) Show SMILES CN1CCN(CC1)c1nc2c(F)cccc2c(=O)n1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H18F4N4O/c1-26-9-11-27(12-10-26)19-25-17-15(3-2-4-16(17)21)18(29)28(19)14-7-5-13(6-8-14)20(22,23)24/h2-8H,9-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.44E+3	n/a	n/a	n/a	n/a
Asahi Kasei Medical Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium level after 30 mins by Fura-2 AM/...				J Med Chem 62: 1468-1483 (2019) Article DOI: 10.1021/acs.jmedchem.8b01615 BindingDB Entry DOI: 10.7270/Q2HD803S
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50525960 (CHEMBL4440011) Show SMILES CCOC(=O)c1ccc(cc1)-n1c(nc2c(F)cccc2c1=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H23FN4O3/c1-3-30-21(29)15-7-9-16(10-8-15)27-20(28)17-5-4-6-18(23)19(17)24-22(27)26-13-11-25(2)12-14-26/h4-10H,3,11-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	920	n/a	n/a	n/a	n/a
Asahi Kasei Medical Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium level after 30 mins by Fura-2 AM/...				J Med Chem 62: 1468-1483 (2019) Article DOI: 10.1021/acs.jmedchem.8b01615 BindingDB Entry DOI: 10.7270/Q2HD803S
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50525942 (CHEMBL4465567) Show SMILES CN1CCN(CC1)c1nc2cc(F)ccc2c(=O)n1-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C20H18F4N4O2/c1-26-8-10-27(11-9-26)19-25-17-12-13(21)2-7-16(17)18(29)28(19)14-3-5-15(6-4-14)30-20(22,23)24/h2-7,12H,8-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	663	n/a	n/a	n/a	n/a
Asahi Kasei Medical Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium level after 30 mins by Fura-2 AM/...				J Med Chem 62: 1468-1483 (2019) Article DOI: 10.1021/acs.jmedchem.8b01615 BindingDB Entry DOI: 10.7270/Q2HD803S
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50525943 (CHEMBL4449850) Show SMILES COc1ccc(cc1)-n1c(nc2cc(F)ccc2c1=O)N1CCN(C)CC1 Show InChI InChI=1S/C20H21FN4O2/c1-23-9-11-24(12-10-23)20-22-18-13-14(21)3-8-17(18)19(26)25(20)15-4-6-16(27-2)7-5-15/h3-8,13H,9-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a
Asahi Kasei Medical Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium level after 30 mins by Fura-2 AM/...				J Med Chem 62: 1468-1483 (2019) Article DOI: 10.1021/acs.jmedchem.8b01615 BindingDB Entry DOI: 10.7270/Q2HD803S
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50525944 (CHEMBL4585693) Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NCCCN(C)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C25H29Cl2N3O4S2/c1-16(2)13-20(29-25(32)22-14-17-7-4-5-8-21(17)35-22)24(31)28-11-6-12-30(3)36(33,34)23-10-9-18(26)15-19(23)27/h4-5,7-10,14-16,20H,6,11-13H2,1-3H3,(H,28,31)(H,29,32)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	740	n/a	n/a	n/a	n/a
Asahi Kasei Medical Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium level after 30 mins by Fura-2 AM/...				J Med Chem 62: 1468-1483 (2019) Article DOI: 10.1021/acs.jmedchem.8b01615 BindingDB Entry DOI: 10.7270/Q2HD803S
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50525945 (CHEMBL4449495) Show SMILES CN1CCN(CC1)c1nc2c(F)cccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H23FN4O2/c1-28-14-16-29(17-15-28)25-27-23-21(8-5-9-22(23)26)24(31)30(25)18-10-12-20(13-11-18)32-19-6-3-2-4-7-19/h2-13H,14-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	125	n/a	n/a	n/a	n/a
Asahi Kasei Medical Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium level after 30 mins by Fura-2 AM/...				J Med Chem 62: 1468-1483 (2019) Article DOI: 10.1021/acs.jmedchem.8b01615 BindingDB Entry DOI: 10.7270/Q2HD803S
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50525946 (CHEMBL4586856) Show SMILES CN1CCN(CC1)c1nc2ccc(F)cc2c(=O)n1-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C20H18F4N4O2/c1-26-8-10-27(11-9-26)19-25-17-7-2-13(21)12-16(17)18(29)28(19)14-3-5-15(6-4-14)30-20(22,23)24/h2-7,12H,8-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.06E+3	n/a	n/a	n/a	n/a
Asahi Kasei Medical Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium level after 30 mins by Fura-2 AM/...				J Med Chem 62: 1468-1483 (2019) Article DOI: 10.1021/acs.jmedchem.8b01615 BindingDB Entry DOI: 10.7270/Q2HD803S
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4 (Homo sapiens (Human))	BDBM50525949 (CHEMBL4436655) Show SMILES C[C@@H]1CN(C)CCN1c1nc2cc(F)ccc2c(=O)n1-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C21H20F4N4O/c1-13-12-27(2)9-10-28(13)20-26-18-11-15(22)5-8-17(18)19(30)29(20)16-6-3-14(4-7-16)21(23,24)25/h3-8,11,13H,9-10,12H2,1-2H3/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
Asahi Kasei Medical Corporation Curated by ChEMBL					Assay Description Agonist activity at recombinant human TRPV4 expressed in HEK293 cells assessed as increase in intracellular calcium level after 30 mins by Fura-2 AM/...				J Med Chem 62: 1468-1483 (2019) Article DOI: 10.1021/acs.jmedchem.8b01615 BindingDB Entry DOI: 10.7270/Q2HD803S
					More data for this Ligand-Target Pair