Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50008654 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)) | BDBM50521182
(CHEMBL4456312 | US11260049, Ex. 123)Show SMILES NC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C18H17Cl2N3O5S2/c19-13-2-4-14(5-3-13)29(25,26)17-9-23(11-18(17,24)10-22)30(27,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,24H,9-11,22H2/t17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.300 | 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 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521183
(CHEMBL4461475 | US11260049, Ex. 125)Show SMILES NC[C@@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cn1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C17H16Cl2N4O5S2/c18-12-2-4-16(22-7-12)29(25,26)15-8-23(10-17(15,24)9-21)30(27,28)14-3-1-11(6-20)5-13(14)19/h1-5,7,15,24H,8-10,21H2/t15-,17+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | 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 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521192
(CHEMBL4547537 | US11260049, Ex. 121)Show SMILES NC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cn1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C17H16Cl2N4O5S2/c18-12-2-4-16(22-7-12)29(25,26)15-8-23(10-17(15,24)9-21)30(27,28)14-3-1-11(6-20)5-13(14)19/h1-5,7,15,24H,8-10,21H2/t15-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | 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 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50521183
(CHEMBL4461475 | US11260049, Ex. 125)Show SMILES NC[C@@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cn1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C17H16Cl2N4O5S2/c18-12-2-4-16(22-7-12)29(25,26)15-8-23(10-17(15,24)9-21)30(27,28)14-3-1-11(6-20)5-13(14)19/h1-5,7,15,24H,8-10,21H2/t15-,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| 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 rat TRPV4 expressed in BHK/AC9 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10 m... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521185
(CHEMBL4439448 | US11260049, Ex. 83)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H15Cl2FN2O6S2/c19-12-2-4-16(14(20)5-12)31(28,29)23-8-17(18(25,9-23)10-24)30(26,27)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 | 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 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521195
(CHEMBL4586959 | US11260049, Ex. 84)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(cc1)C#N)S(=O)(=O)c1ccc(Cl)cc1C#N |r| Show InChI InChI=1S/C19H16ClN3O6S2/c20-15-3-6-17(14(7-15)9-22)31(28,29)23-10-18(19(25,11-23)12-24)30(26,27)16-4-1-13(8-21)2-5-16/h1-7,18,24-25H,10-12H2/t18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | 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 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50505550
(CHEMBL4439190 | US11260049, Ex. 2)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C18H16Cl2N2O6S2/c19-13-2-4-14(5-3-13)29(25,26)17-9-22(10-18(17,24)11-23)30(27,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,23-24H,9-11H2/t17-,18+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | 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 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521186
(CHEMBL4547101 | US11260049, Ex. 45)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(cc1)C#N)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C19H16ClN3O6S2/c20-16-7-14(9-22)3-6-17(16)31(28,29)23-10-18(19(25,11-23)12-24)30(26,27)15-4-1-13(8-21)2-5-15/h1-7,18,24-25H,10-12H2/t18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | 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 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50505550
(CHEMBL4439190 | US11260049, Ex. 2)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C18H16Cl2N2O6S2/c19-13-2-4-14(5-3-13)29(25,26)17-9-22(10-18(17,24)11-23)30(27,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,23-24H,9-11H2/t17-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in BHK/AC9 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10 m... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521180
(CHEMBL4437115 | US11260049, Ex. 1)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cn1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C17H15Cl2N3O6S2/c18-12-2-4-16(21-7-12)29(25,26)15-8-22(9-17(15,24)10-23)30(27,28)14-3-1-11(6-20)5-13(14)19/h1-5,7,15,23-24H,8-10H2/t15-,17+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 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 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521184
(CHEMBL4476783)Show SMILES CC(C)(C)c1cc(no1)N1C[C@@]2(CCC[C@](C)(Cn3cnc4ccc(cc34)C#N)C2)OC1=O |r| Show InChI InChI=1S/C25H29N5O3/c1-23(2,3)20-11-21(28-33-20)30-15-25(32-22(30)31)9-5-8-24(4,13-25)14-29-16-27-18-7-6-17(12-26)10-19(18)29/h6-7,10-11,16H,5,8-9,13-15H2,1-4H3/t24-,25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at TRPV4 (unknown origin) |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50505546
(CHEMBL4533534 | US11260049, Ex. 82)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(cc1)C#N)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H16Cl2N2O6S2/c19-13-3-6-16(15(20)7-13)30(27,28)22-9-17(18(24,10-22)11-23)29(25,26)14-4-1-12(8-21)2-5-14/h1-7,17,23-24H,9-11H2/t17-,18+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.90 | 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 HEK cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10 min... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521187
(CHEMBL4441860)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(nc1C(F)(F)F)C#N |r| Show InChI InChI=1S/C18H15ClF3N3O6S2/c19-11-1-4-13(5-2-11)32(28,29)15-8-25(9-17(15,27)10-26)33(30,31)14-6-3-12(7-23)24-16(14)18(20,21)22/h1-6,15,26-27H,8-10H2/t15-,17+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | 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 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521188
(CHEMBL4467225)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=N)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C18H17Cl2N3O5S2/c19-13-2-4-14(5-3-13)29(22,26)17-9-23(10-18(17,25)11-24)30(27,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,22,24-25H,9-11H2/t17-,18+,29?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | 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 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521193
(CHEMBL4468326)Show SMILES O[C@H]1CN(C[C@@H]1S(=O)(=O)c1ccc(cc1)C#N)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C17H14Cl2N2O5S2/c18-12-3-6-16(14(19)7-12)28(25,26)21-9-15(22)17(10-21)27(23,24)13-4-1-11(8-20)2-5-13/h1-7,15,17,22H,9-10H2/t15-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | 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 HEK cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10 min... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521181
(CHEMBL4465119)Show SMILES O[C@H]1CN(C[C@@H]1Oc1ccc(cc1)C#N)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C17H14Cl2N2O4S/c18-12-3-6-17(14(19)7-12)26(23,24)21-9-15(22)16(10-21)25-13-4-1-11(8-20)2-5-13/h1-7,15-16,22H,9-10H2/t15-,16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | 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 HEK cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10 min... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521189
(CHEMBL4473984)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=N)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C18H17Cl2N3O5S2/c19-13-2-4-14(5-3-13)29(26,27)17-9-23(10-18(17,25)11-24)30(22,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,22,24-25H,9-11H2/t17-,18+,30?/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 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521191
(CHEMBL4534649)Show SMILES OC[C@@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(cc1)C#N)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H16Cl2N2O6S2/c19-13-3-6-16(15(20)7-13)30(27,28)22-9-17(18(24,10-22)11-23)29(25,26)14-4-1-12(8-21)2-5-14/h1-7,17,23-24H,9-11H2/t17-,18-/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 HEK cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10 min... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50232797
(CHEMBL4073922)Show SMILES FC(F)(F)c1cccc(c1)-c1nc2cc(Br)ccc2c(C(=O)NC2(CC2)c2ccccc2)c1CN1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C37H38BrF3N4O/c38-28-12-13-30-32(23-28)42-34(25-8-7-11-27(22-25)37(39,40)41)31(24-44-20-14-29(15-21-44)45-18-5-2-6-19-45)33(30)35(46)43-36(16-17-36)26-9-3-1-4-10-26/h1,3-4,7-13,22-23,29H,2,5-6,14-21,24H2,(H,43,46) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| 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 HEK cells assessed as inhibition of GSK634775-induced Ca2+ influx by FLIPR assay |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50521182
(CHEMBL4456312 | US11260049, Ex. 123)Show SMILES NC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C18H17Cl2N3O5S2/c19-13-2-4-14(5-3-13)29(25,26)17-9-23(11-18(17,24)10-22)30(27,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,24H,9-11,22H2/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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
Reversible inhibition of CYP3A4 (unknown origin) in presence of NADPH by vivid red substrate-based assay |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521194
(CHEMBL4444971)Show SMILES OC[C@@]1(O)CN(C[C@H]1S(=O)(=O)c1ccc(cc1)C#N)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H16Cl2N2O6S2/c19-13-3-6-16(15(20)7-13)30(27,28)22-9-17(18(24,10-22)11-23)29(25,26)14-4-1-12(8-21)2-5-14/h1-7,17,23-24H,9-11H2/t17-,18+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 159 | 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 HEK cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10 min... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50521192
(CHEMBL4547537 | US11260049, Ex. 121)Show SMILES NC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cn1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C17H16Cl2N4O5S2/c18-12-2-4-16(22-7-12)29(25,26)15-8-23(10-17(15,24)9-21)30(27,28)14-3-1-11(6-20)5-13(14)19/h1-5,7,15,24H,8-10,21H2/t15-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of CYP3A4 (unknown origin) in presence of NADPH by vivid red substrate-based assay |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521196
(CHEMBL4453093)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(nc1)C#N |r| Show InChI InChI=1S/C17H16ClN3O6S2/c18-12-1-4-14(5-2-12)28(24,25)16-9-21(10-17(16,23)11-22)29(26,27)15-6-3-13(7-19)20-8-15/h1-6,8,16,22-23H,9-11H2/t16-,17+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 631 | 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 cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50521190
(CHEMBL4469003)Show SMILES OC[C@]1(O)CN(C[C@H]1S(=O)(=O)c1ccc(cc1)C#N)S(=O)(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C18H16Cl2N2O6S2/c19-13-3-6-16(15(20)7-13)30(27,28)22-9-17(18(24,10-22)11-23)29(25,26)14-4-1-12(8-21)2-5-14/h1-7,17,23-24H,9-11H2/t17-,18-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.59E+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 HEK cells assessed as inhibition of GSK634775-induced calcium immobilization pre-incubated for 10 min... |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50521183
(CHEMBL4461475 | US11260049, Ex. 125)Show SMILES NC[C@@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cn1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C17H16Cl2N4O5S2/c18-12-2-4-16(22-7-12)29(25,26)15-8-23(10-17(15,24)9-21)30(27,28)14-3-1-11(6-20)5-13(14)19/h1-5,7,15,24H,8-10,21H2/t15-,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of CYP3A4 (unknown origin) in presence of NADPH by vivid red substrate-based assay |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50521182
(CHEMBL4456312 | US11260049, Ex. 123)Show SMILES NC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C18H17Cl2N3O5S2/c19-13-2-4-14(5-3-13)29(25,26)17-9-23(11-18(17,24)10-22)30(27,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,24H,9-11,22H2/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by Qpatch assay |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50521183
(CHEMBL4461475 | US11260049, Ex. 125)Show SMILES NC[C@@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cn1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C17H16Cl2N4O5S2/c18-12-2-4-16(22-7-12)29(25,26)15-8-23(10-17(15,24)9-21)30(27,28)14-3-1-11(6-20)5-13(14)19/h1-5,7,15,24H,8-10,21H2/t15-,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by Qpatch assay |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50521192
(CHEMBL4547537 | US11260049, Ex. 121)Show SMILES NC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cn1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C17H16Cl2N4O5S2/c18-12-2-4-16(22-7-12)29(25,26)15-8-23(10-17(15,24)9-21)30(27,28)14-3-1-11(6-20)5-13(14)19/h1-5,7,15,24H,8-10,21H2/t15-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by Qpatch assay |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50505550
(CHEMBL4439190 | US11260049, Ex. 2)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C18H16Cl2N2O6S2/c19-13-2-4-14(5-3-13)29(25,26)17-9-22(10-18(17,24)11-23)30(27,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,23-24H,9-11H2/t17-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells by Qpatch assay |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 4B1
(Homo sapiens) | BDBM50505550
(CHEMBL4439190 | US11260049, Ex. 2)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C18H16Cl2N2O6S2/c19-13-2-4-14(5-3-13)29(25,26)17-9-22(10-18(17,24)11-23)30(27,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,23-24H,9-11H2/t17-,18+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP450 (unknown origin) |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C
(Homo sapiens (Human)) | BDBM50505550
(CHEMBL4439190 | US11260049, Ex. 2)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C18H16Cl2N2O6S2/c19-13-2-4-14(5-3-13)29(25,26)17-9-22(10-18(17,24)11-23)30(27,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,23-24H,9-11H2/t17-,18+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Cav1.2 (unknown origin) expressed in HEK cells by patch clamp assay |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50505550
(CHEMBL4439190 | US11260049, Ex. 2)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C18H16Cl2N2O6S2/c19-13-2-4-14(5-3-13)29(25,26)17-9-22(10-18(17,24)11-23)30(27,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,23-24H,9-11H2/t17-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at TRPV1 (unknown origin) |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 2
(Homo sapiens (Human)) | BDBM50505550
(CHEMBL4439190 | US11260049, Ex. 2)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C18H16Cl2N2O6S2/c19-13-2-4-14(5-3-13)29(25,26)17-9-22(10-18(17,24)11-23)30(27,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,23-24H,9-11H2/t17-,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at TRPM2 (unknown origin) |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily M member 8
(Homo sapiens (Human)) | BDBM50505550
(CHEMBL4439190 | US11260049, Ex. 2)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C18H16Cl2N2O6S2/c19-13-2-4-14(5-3-13)29(25,26)17-9-22(10-18(17,24)11-23)30(27,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,23-24H,9-11H2/t17-,18+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at TRPM8 (unknown origin) |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50505550
(CHEMBL4439190 | US11260049, Ex. 2)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C18H16Cl2N2O6S2/c19-13-2-4-14(5-3-13)29(25,26)17-9-22(10-18(17,24)11-23)30(27,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,23-24H,9-11H2/t17-,18+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at TRPA1 (unknown origin) |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Short transient receptor potential channel 3/6
(Homo sapiens (Human)) | BDBM50505550
(CHEMBL4439190 | US11260049, Ex. 2)Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| Show InChI InChI=1S/C18H16Cl2N2O6S2/c19-13-2-4-14(5-3-13)29(25,26)17-9-22(10-18(17,24)11-23)30(27,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,23-24H,9-11H2/t17-,18+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at TRPC3/TRPC6 (unknown origin) |
J Med Chem 61: 11209-11220 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01344
BindingDB Entry DOI: 10.7270/Q2KW5KD5 |
More data for this
Ligand-Target Pair | |
Search and Browse
