Found 156 hits with Last Name = 'bao' and Initial = 'w' 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
(Rattus norvegicus) | BDBM50232815
(CHEMBL4104743)Show SMILES CCOc1ccc2c(C(=O)NC3(CC3)c3ccccc3)c(CN3CCC(CC3)N3CCCCC3)c(nc2c1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C39H43F3N4O2/c1-2-48-31-14-15-32-34(25-31)43-36(27-10-9-13-29(24-27)39(40,41)42)33(26-45-22-16-30(17-23-45)46-20-7-4-8-21-46)35(32)37(47)44-38(18-19-38)28-11-5-3-6-12-28/h3,5-6,9-15,24-25,30H,2,4,7-8,16-23,26H2,1H3,(H,44,47) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | 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
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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232790
(CHEMBL4084542)Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C36H39F3N4O/c1-25(26-11-4-2-5-12-26)40-35(44)33-30-15-6-7-16-32(30)41-34(27-13-10-14-28(23-27)36(37,38)39)31(33)24-42-21-17-29(18-22-42)43-19-8-3-9-20-43/h2,4-7,10-16,23,25,29H,3,8-9,17-22,24H2,1H3,(H,40,44)/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232813
(CHEMBL4097859)Show SMILES FC(F)(F)c1cccc(c1)-c1nc2ccccc2c(C(=O)NC2(CC2)c2ccccc2)c1CN1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C37H39F3N4O/c38-37(39,40)28-13-9-10-26(24-28)34-31(25-43-22-16-29(17-23-43)44-20-7-2-8-21-44)33(30-14-5-6-15-32(30)41-34)35(45)42-36(18-19-36)27-11-3-1-4-12-27/h1,3-6,9-15,24,29H,2,7-8,16-23,25H2,(H,42,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232800
(CHEMBL4103166)Show SMILES FC(F)(F)[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccc(Br)cc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C36H35BrF6N4O/c37-26-12-13-30-28(21-26)31(34(48)45-33(36(41,42)43)23-8-3-1-4-9-23)29(32(44-30)24-10-7-11-25(20-24)35(38,39)40)22-46-18-14-27(15-19-46)47-16-5-2-6-17-47/h1,3-4,7-13,20-21,27,33H,2,5-6,14-19,22H2,(H,45,48)/t33-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232804
(CHEMBL4087716)Show SMILES FC(F)(F)[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C36H36F6N4O/c37-35(38,39)26-13-9-12-25(22-26)32-29(23-45-20-16-27(17-21-45)46-18-7-2-8-19-46)31(28-14-5-6-15-30(28)43-32)34(47)44-33(36(40,41)42)24-10-3-1-4-11-24/h1,3-6,9-15,22,27,33H,2,7-8,16-21,23H2,(H,44,47)/t33-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232796
(CHEMBL4094483)Show SMILES COc1ccc2c(C(=O)NC3(CC3)c3ccccc3)c(CN3CCC(CC3)N3CCCCC3)c(nc2c1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C38H41F3N4O2/c1-47-30-13-14-31-33(24-30)42-35(26-9-8-12-28(23-26)38(39,40)41)32(25-44-21-15-29(16-22-44)45-19-6-3-7-20-45)34(31)36(46)43-37(17-18-37)27-10-4-2-5-11-27/h2,4-5,8-14,23-24,29H,3,6-7,15-22,25H2,1H3,(H,43,46) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232803
(CHEMBL4068023)Show SMILES CCOc1ccc2c(C(=O)N[C@H](c3ccccc3)C(F)(F)F)c(CN3CCC(CC3)N3CCCCC3)c(nc2c1)-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C38H40F6N4O2/c1-2-50-29-14-15-30-32(23-29)45-34(26-12-9-13-27(22-26)37(39,40)41)31(24-47-20-16-28(17-21-47)48-18-7-4-8-19-48)33(30)36(49)46-35(38(42,43)44)25-10-5-3-6-11-25/h3,5-6,9-15,22-23,28,35H,2,4,7-8,16-21,24H2,1H3,(H,46,49)/t35-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232799
(CHEMBL4078886)Show SMILES FC(F)(F)[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2cc(Br)ccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C36H35BrF6N4O/c37-26-12-13-28-30(21-26)44-32(24-10-7-11-25(20-24)35(38,39)40)29(22-46-18-14-27(15-19-46)47-16-5-2-6-17-47)31(28)34(48)45-33(36(41,42)43)23-8-3-1-4-9-23/h1,3-4,7-13,20-21,27,33H,2,5-6,14-19,22H2,(H,45,48)/t33-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232809
(CHEMBL4065154)Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCOCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C35H37F3N4O2/c1-24(25-8-3-2-4-9-25)39-34(43)32-29-12-5-6-13-31(29)40-33(26-10-7-11-27(22-26)35(36,37)38)30(32)23-41-16-14-28(15-17-41)42-18-20-44-21-19-42/h2-13,22,24,28H,14-21,23H2,1H3,(H,39,43)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232798
(CHEMBL4095413)Show SMILES COc1ccc2c(C(=O)N[C@H](c3ccccc3)C(F)(F)F)c(CN3CCC(CC3)N3CCCCC3)c(nc2c1)-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C37H38F6N4O2/c1-49-28-13-14-29-31(22-28)44-33(25-11-8-12-26(21-25)36(38,39)40)30(23-46-19-15-27(16-20-46)47-17-6-3-7-18-47)32(29)35(48)45-34(37(41,42)43)24-9-4-2-5-10-24/h2,4-5,8-14,21-22,27,34H,3,6-7,15-20,23H2,1H3,(H,45,48)/t34-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM50580768
(CHEMBL5078790)Show SMILES CO[C@@H](C)c1c(NC(=O)Nc2cnc(C(=O)N3CCCC3)c(Cl)c2)cnc2cc(Cl)nn12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MALT1 (329-824 residues) (unknown origin) using PT14 as substrate incubated for 60 mins by fluorescence based assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00466
BindingDB Entry DOI: 10.7270/Q2WS8Z3K |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232805
(CHEMBL4069979)Show SMILES CC[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C37H41F3N4O/c1-2-32(26-12-5-3-6-13-26)42-36(45)34-30-16-7-8-17-33(30)41-35(27-14-11-15-28(24-27)37(38,39)40)31(34)25-43-22-18-29(19-23-43)44-20-9-4-10-21-44/h3,5-8,11-17,24,29,32H,2,4,9-10,18-23,25H2,1H3,(H,42,45)/t32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232802
(CHEMBL4105593)Show SMILES FC(F)(F)[C@@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C36H36F6N4O/c37-35(38,39)26-13-9-12-25(22-26)32-29(23-45-20-16-27(17-21-45)46-18-7-2-8-19-46)31(28-14-5-6-15-30(28)43-32)34(47)44-33(36(40,41)42)24-10-3-1-4-11-24/h1,3-6,9-15,22,27,33H,2,7-8,16-21,23H2,(H,44,47)/t33-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50232795
(CHEMBL4092276)Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C35H40N4O/c1-26(27-13-5-2-6-14-27)36-35(40)33-30-17-9-10-18-32(30)37-34(28-15-7-3-8-16-28)31(33)25-38-23-19-29(20-24-38)39-21-11-4-12-22-39/h2-3,5-10,13-18,26,29H,4,11-12,19-25H2,1H3,(H,36,40)/t26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of NK3 receptor (unknown origin) by FLIPR assay |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232791
(CHEMBL4062863)Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C35H39ClN4O/c1-25(26-11-4-2-5-12-26)37-35(41)33-30-15-6-7-16-32(30)38-34(27-13-10-14-28(36)23-27)31(33)24-39-21-17-29(18-22-39)40-19-8-3-9-20-40/h2,4-7,10-16,23,25,29H,3,8-9,17-22,24H2,1H3,(H,37,41)/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM453058
(US10711036, Compound 116)Show SMILES CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C24H34BrFN6O4/c1-14(2)20(31-21(34)15-7-9-16(25)10-8-15)23(36)32-12-4-6-18(32)22(35)30-17(19(33)13-26)5-3-11-29-24(27)28/h7-10,14,17-18,20H,3-6,11-13H2,1-2H3,(H,30,35)(H,31,34)(H4,27,28,29)/t17-,18-,20-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MALT1 (340 to 789 residues) (unknown origin) using Ac-LRSR-AMC as substrate by fluorescence based analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00466
BindingDB Entry DOI: 10.7270/Q2WS8Z3K |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50232803
(CHEMBL4068023)Show SMILES CCOc1ccc2c(C(=O)N[C@H](c3ccccc3)C(F)(F)F)c(CN3CCC(CC3)N3CCCCC3)c(nc2c1)-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C38H40F6N4O2/c1-2-50-29-14-15-30-32(23-29)45-34(26-12-9-13-27(22-26)37(39,40)41)31(24-47-20-16-28(17-21-47)48-18-7-4-8-19-48)33(30)36(49)46-35(38(42,43)44)25-10-5-3-6-11-25/h3,5-6,9-15,22-23,28,35H,2,4,7-8,16-21,24H2,1H3,(H,46,49)/t35-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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UniChem
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50108104
(CHEMBL3601500)Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(COC(=O)\C=C\c3ccc(O)c(O)c3)C2=CC[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:29| Show InChI InChI=1S/C39H52O7/c1-34(2)17-18-38(33(44)45)19-20-39(23-46-32(43)12-8-24-7-10-27(40)28(41)21-24)25(26(38)22-34)9-11-30-36(5)15-14-31(42)35(3,4)29(36)13-16-37(30,39)6/h7-10,12,21,26,29-30,40-41H,11,13-20,22-23H2,1-6H3,(H,44,45)/b12-8+/t26-,29-,30+,36-,37+,38-,39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Kansas State University
Curated by ChEMBL
| Assay Description
Antagonist activity at endothelin A receptor in rat A7r5 cells assessed as inhibition of ET-1-induced increase in cytosolic free Ca2+ level treated 1... |
Bioorg Med Chem 23: 5985-98 (2015)
Article DOI: 10.1016/j.bmc.2015.06.055
BindingDB Entry DOI: 10.7270/Q2862J7P |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232811
(CHEMBL4105323)Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(C)c1)c1ccccc1 |r| Show InChI InChI=1S/C36H42N4O/c1-26-12-11-15-29(24-26)35-32(25-39-22-18-30(19-23-39)40-20-9-4-10-21-40)34(31-16-7-8-17-33(31)38-35)36(41)37-27(2)28-13-5-3-6-14-28/h3,5-8,11-17,24,27,30H,4,9-10,18-23,25H2,1-2H3,(H,37,41)/t27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232793
(CHEMBL4100026)Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccc(cc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C36H39F3N4O/c1-25(26-10-4-2-5-11-26)40-35(44)33-30-12-6-7-13-32(30)41-34(27-14-16-28(17-15-27)36(37,38)39)31(33)24-42-22-18-29(19-23-42)43-20-8-3-9-21-43/h2,4-7,10-17,25,29H,3,8-9,18-24H2,1H3,(H,40,44)/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232794
(CHEMBL4082016)Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C35H39ClN4O/c1-25(26-10-4-2-5-11-26)37-35(41)33-30-12-6-7-13-32(30)38-34(27-14-16-28(36)17-15-27)31(33)24-39-22-18-29(19-23-39)40-20-8-3-9-21-40/h2,4-7,10-17,25,29H,3,8-9,18-24H2,1H3,(H,37,41)/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Mus musculus) | BDBM50192821
(CHEMBL2133556)Show SMILES Cc1c(cc(-c2ccccc2)n1CCCN1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H28F3N3O2/c1-19-23(25(33)30-22-10-5-9-21(17-22)26(27,28)29)18-24(20-7-3-2-4-8-20)32(19)12-6-11-31-13-15-34-16-14-31/h2-5,7-10,17-18H,6,11-16H2,1H3,(H,30,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse TRPV4 expressed in HEK293 cells assessed as inhibition of 4alpha-PDD-induced current at holding potential of -40 mV by W... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232816
(CHEMBL4097174)Show SMILES CC(C)[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C38H43F3N4O/c1-26(2)35(27-12-5-3-6-13-27)43-37(46)34-31-16-7-8-17-33(31)42-36(28-14-11-15-29(24-28)38(39,40)41)32(34)25-44-22-18-30(19-23-44)45-20-9-4-10-21-45/h3,5-8,11-17,24,26,30,35H,4,9-10,18-23,25H2,1-2H3,(H,43,46)/t35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232801
(CHEMBL4079837)Show SMILES CC(C)(NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C37H41F3N4O/c1-36(2,27-13-5-3-6-14-27)42-35(45)33-30-16-7-8-17-32(30)41-34(26-12-11-15-28(24-26)37(38,39)40)31(33)25-43-22-18-29(19-23-43)44-20-9-4-10-21-44/h3,5-8,11-17,24,29H,4,9-10,18-23,25H2,1-2H3,(H,42,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50232804
(CHEMBL4087716)Show SMILES FC(F)(F)[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C36H36F6N4O/c37-35(38,39)26-13-9-12-25(22-26)32-29(23-45-20-16-27(17-21-45)46-18-7-2-8-19-46)31(28-14-5-6-15-30(28)43-32)34(47)44-33(36(40,41)42)24-10-3-1-4-11-24/h1,3-6,9-15,22,27,33H,2,7-8,16-21,23H2,(H,44,47)/t33-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
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
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CHEMBL
MCE
PC cid
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PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50192821
(CHEMBL2133556)Show SMILES Cc1c(cc(-c2ccccc2)n1CCCN1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H28F3N3O2/c1-19-23(25(33)30-22-10-5-9-21(17-22)26(27,28)29)18-24(20-7-3-2-4-8-20)32(19)12-6-11-31-13-15-34-16-14-31/h2-5,7-10,17-18H,6,11-16H2,1H3,(H,30,33) | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
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PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of 4alpha-PDD-induced current at holding potential of -40 mV by W... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50232809
(CHEMBL4065154)Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCOCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C35H37F3N4O2/c1-24(25-8-3-2-4-9-25)39-34(43)32-29-12-5-6-13-31(29)40-33(26-10-7-11-27(22-26)35(36,37)38)30(32)23-41-16-14-28(15-17-41)42-18-20-44-21-19-42/h2-13,22,24,28H,14-21,23H2,1H3,(H,39,43)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232806
(CHEMBL4072053)Show SMILES FC(F)(F)c1cccc(c1)-c1nc2ccccc2c(C(=O)NCc2ccccc2)c1CN1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C35H37F3N4O/c36-35(37,38)27-13-9-12-26(22-27)33-30(24-41-20-16-28(17-21-41)42-18-7-2-8-19-42)32(29-14-5-6-15-31(29)40-33)34(43)39-23-25-10-3-1-4-11-25/h1,3-6,9-15,22,28H,2,7-8,16-21,23-24H2,(H,39,43) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50232813
(CHEMBL4097859)Show SMILES FC(F)(F)c1cccc(c1)-c1nc2ccccc2c(C(=O)NC2(CC2)c2ccccc2)c1CN1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C37H39F3N4O/c38-37(39,40)28-13-9-10-26(24-28)34-31(25-43-22-16-29(17-23-43)44-20-7-2-8-21-44)33(30-14-5-6-15-32(30)41-34)35(45)42-36(18-19-36)27-11-3-1-4-12-27/h1,3-6,9-15,24,29H,2,7-8,16-23,25H2,(H,42,45) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50232798
(CHEMBL4095413)Show SMILES COc1ccc2c(C(=O)N[C@H](c3ccccc3)C(F)(F)F)c(CN3CCC(CC3)N3CCCCC3)c(nc2c1)-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C37H38F6N4O2/c1-49-28-13-14-29-31(22-28)44-33(25-11-8-12-26(21-25)36(38,39)40)30(23-46-19-15-27(16-20-46)47-17-6-3-7-18-47)32(29)35(48)45-34(37(41,42)43)24-9-4-2-5-10-24/h2,4-5,8-14,21-22,27,34H,3,6-7,15-20,23H2,1H3,(H,45,48)/t34-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50232799
(CHEMBL4078886)Show SMILES FC(F)(F)[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2cc(Br)ccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C36H35BrF6N4O/c37-26-12-13-28-30(21-26)44-32(24-10-7-11-25(20-24)35(38,39)40)29(22-46-18-14-27(15-19-46)47-16-5-2-6-17-47)31(28)34(48)45-33(36(41,42)43)23-8-3-1-4-9-23/h1,3-4,7-13,20-21,27,33H,2,5-6,14-19,22H2,(H,45,48)/t33-/m1/s1 | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50232800
(CHEMBL4103166)Show SMILES FC(F)(F)[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccc(Br)cc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C36H35BrF6N4O/c37-26-12-13-30-28(21-26)31(34(48)45-33(36(41,42)43)23-8-3-1-4-9-23)29(32(44-30)24-10-7-11-25(20-24)35(38,39)40)22-46-18-14-27(15-19-46)47-16-5-2-6-17-47/h1,3-4,7-13,20-21,27,33H,2,5-6,14-19,22H2,(H,45,48)/t33-/m1/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50108104
(CHEMBL3601500)Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(COC(=O)\C=C\c3ccc(O)c(O)c3)C2=CC[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:29| Show InChI InChI=1S/C39H52O7/c1-34(2)17-18-38(33(44)45)19-20-39(23-46-32(43)12-8-24-7-10-27(40)28(41)21-24)25(26(38)22-34)9-11-30-36(5)15-14-31(42)35(3,4)29(36)13-16-37(30,39)6/h7-10,12,21,26,29-30,40-41H,11,13-20,22-23H2,1-6H3,(H,44,45)/b12-8+/t26-,29-,30+,36-,37+,38-,39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
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| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Kansas State University
Curated by ChEMBL
| Assay Description
Antagonist activity at endothelin A receptor in Wistar rat thoracic aorta strips assessed as inhibition of ET1-induced vasoconstriction preincubated ... |
Bioorg Med Chem 23: 5985-98 (2015)
Article DOI: 10.1016/j.bmc.2015.06.055
BindingDB Entry DOI: 10.7270/Q2862J7P |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50232815
(CHEMBL4104743)Show SMILES CCOc1ccc2c(C(=O)NC3(CC3)c3ccccc3)c(CN3CCC(CC3)N3CCCCC3)c(nc2c1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C39H43F3N4O2/c1-2-48-31-14-15-32-34(25-31)43-36(27-10-9-13-29(24-27)39(40,41)42)33(26-45-22-16-30(17-23-45)46-20-7-4-8-21-46)35(32)37(47)44-38(18-19-38)28-11-5-3-6-12-28/h3,5-6,9-15,24-25,30H,2,4,7-8,16-23,26H2,1H3,(H,44,47) | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50232790
(CHEMBL4084542)Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C36H39F3N4O/c1-25(26-11-4-2-5-12-26)40-35(44)33-30-15-6-7-16-32(30)41-34(27-13-10-14-28(23-27)36(37,38)39)31(33)24-42-21-17-29(18-22-42)43-19-8-3-9-20-43/h2,4-7,10-16,23,25,29H,3,8-9,17-22,24H2,1H3,(H,40,44)/t25-/m0/s1 | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232812
(CHEMBL4100988)Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccc(C)cc1)c1ccccc1 |r| Show InChI InChI=1S/C36H42N4O/c1-26-15-17-29(18-16-26)35-32(25-39-23-19-30(20-24-39)40-21-9-4-10-22-40)34(31-13-7-8-14-33(31)38-35)36(41)37-27(2)28-11-5-3-6-12-28/h3,5-8,11-18,27,30H,4,9-10,19-25H2,1-2H3,(H,37,41)/t27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50232795
(CHEMBL4092276)Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C35H40N4O/c1-26(27-13-5-2-6-14-27)36-35(40)33-30-17-9-10-18-32(30)37-34(28-15-7-3-8-16-28)31(33)25-38-23-19-29(20-24-38)39-21-11-4-12-22-39/h2-3,5-10,13-18,26,29H,4,11-12,19-25H2,1H3,(H,36,40)/t26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of NK2 receptor (unknown origin) by FLIPR assay |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50232802
(CHEMBL4105593)Show SMILES FC(F)(F)[C@@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C36H36F6N4O/c37-35(38,39)26-13-9-12-25(22-26)32-29(23-45-20-16-27(17-21-45)46-18-7-2-8-19-46)31(28-14-5-6-15-30(28)43-32)34(47)44-33(36(40,41)42)24-10-3-1-4-11-24/h1,3-6,9-15,22,27,33H,2,7-8,16-21,23H2,(H,44,47)/t33-/m0/s1 | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50232816
(CHEMBL4097174)Show SMILES CC(C)[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C38H43F3N4O/c1-26(2)35(27-12-5-3-6-13-27)43-37(46)34-31-16-7-8-17-33(31)42-36(28-14-11-15-29(24-28)38(39,40)41)32(34)25-44-22-18-30(19-23-44)45-20-9-4-10-21-45/h3,5-8,11-17,24,26,30,35H,4,9-10,18-23,25H2,1-2H3,(H,43,46)/t35-/m0/s1 | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50192821
(CHEMBL2133556)Show SMILES Cc1c(cc(-c2ccccc2)n1CCCN1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H28F3N3O2/c1-19-23(25(33)30-22-10-5-9-21(17-22)26(27,28)29)18-24(20-7-3-2-4-8-20)32(19)12-6-11-31-13-15-34-16-14-31/h2-5,7-10,17-18H,6,11-16H2,1H3,(H,30,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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CHEMBL
MCE
PC cid
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PDB
UniChem
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| PDB
Article
PubMed
| n/a | n/a | 133 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of 4alpha-PDD-induced current at holding potential of -40 mV by Who... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50232805
(CHEMBL4069979)Show SMILES CC[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C37H41F3N4O/c1-2-32(26-12-5-3-6-13-26)42-36(45)34-30-16-7-8-17-33(30)41-35(27-14-11-15-28(24-27)37(38,39)40)31(34)25-43-22-18-29(19-23-43)44-20-9-4-10-21-44/h3,5-8,11-17,24,29,32H,2,4,9-10,18-23,25H2,1H3,(H,42,45)/t32-/m0/s1 | PDB
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UniChem
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| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50232791
(CHEMBL4062863)Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C35H39ClN4O/c1-25(26-11-4-2-5-12-26)37-35(41)33-30-15-6-7-16-32(30)38-34(27-13-10-14-28(36)23-27)31(33)24-39-21-17-29(18-22-39)40-19-8-3-9-20-40/h2,4-7,10-16,23,25,29H,3,8-9,17-22,24H2,1H3,(H,37,41)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50232796
(CHEMBL4094483)Show SMILES COc1ccc2c(C(=O)NC3(CC3)c3ccccc3)c(CN3CCC(CC3)N3CCCCC3)c(nc2c1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C38H41F3N4O2/c1-47-30-13-14-31-33(24-30)42-35(26-9-8-12-28(23-26)38(39,40)41)32(25-44-21-15-29(16-22-44)45-19-6-3-7-20-45)34(31)36(46)43-37(17-18-37)27-10-4-2-5-11-27/h2,4-5,8-14,23-24,29H,3,6-7,15-22,25H2,1H3,(H,43,46) | PDB
UniProtKB/SwissProt
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PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232792
(CHEMBL4074240)Show SMILES COc1ccc(cc1)-c1nc2ccccc2c(C(=O)N[C@@H](C)c2ccccc2)c1CN1CCC(CC1)N1CCCCC1 |r| Show InChI InChI=1S/C36H42N4O2/c1-26(27-11-5-3-6-12-27)37-36(41)34-31-13-7-8-14-33(31)38-35(28-15-17-30(42-2)18-16-28)32(34)25-39-23-19-29(20-24-39)40-21-9-4-10-22-40/h3,5-8,11-18,26,29H,4,9-10,19-25H2,1-2H3,(H,37,41)/t26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232795
(CHEMBL4092276)Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C35H40N4O/c1-26(27-13-5-2-6-14-27)36-35(40)33-30-17-9-10-18-32(30)37-34(28-15-7-3-8-16-28)31(33)25-38-23-19-29(20-24-38)39-21-11-4-12-22-39/h2-3,5-10,13-18,26,29H,4,11-12,19-25H2,1H3,(H,36,40)/t26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50232794
(CHEMBL4082016)Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C35H39ClN4O/c1-25(26-10-4-2-5-11-26)37-35(41)33-30-12-6-7-13-32(30)38-34(27-14-16-28(36)17-15-27)31(33)24-39-22-18-29(19-23-39)40-20-8-3-9-21-40/h2,4-7,10-17,25,29H,3,8-9,18-24H2,1H3,(H,37,41)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Rattus norvegicus) | BDBM50232808
(CHEMBL4071019)Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N(C)C)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C33H35F3N4O/c1-22(23-10-5-4-6-11-23)37-32(41)30-27-14-7-8-15-29(27)38-31(24-12-9-13-25(20-24)33(34,35)36)28(30)21-40-18-16-26(17-19-40)39(2)3/h4-15,20,22,26H,16-19,21H2,1-3H3,(H,37,41)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 4
(Homo sapiens (Human)) | BDBM50232793
(CHEMBL4100026)Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccc(cc1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C36H39F3N4O/c1-25(26-10-4-2-5-11-26)40-35(44)33-30-12-6-7-13-32(30)41-34(27-14-16-28(17-15-27)36(37,38)39)31(33)24-42-22-18-29(19-23-42)43-20-8-3-9-21-43/h2,4-7,10-17,25,29H,3,8-9,18-24H2,1H3,(H,40,44)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol... |
ACS Med Chem Lett 8: 549-554 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW |
More data for this
Ligand-Target Pair | |
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