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SMILES: [H][C@]12CC[C@]([H])(C\C(C1)=N/OC1CCN(C)CC1)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1

InChI Key: InChIKey=MDQOBEHUFJIXIQ-CARBOWHASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50192828   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50192828
PNG
(CHEMBL3914089)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/OC1CCN(C)CC1)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r|
Show InChI InChI=1S/C27H33N7O2S2/c1-16-25(38-17(2)29-16)23-15-37-27(30-23)31-24-7-4-18(14-28-24)26(35)34-20-5-6-21(34)13-19(12-20)32-36-22-8-10-33(3)11-9-22/h4,7,14-15,20-22H,5-6,8-13H2,1-3H3,(H,28,30,31)/b32-19-/t20-,21+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 57n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 assessed as inhibition of 4alpha-PDD-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192828
PNG
(CHEMBL3914089)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/OC1CCN(C)CC1)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r|
Show InChI InChI=1S/C27H33N7O2S2/c1-16-25(38-17(2)29-16)23-15-37-27(30-23)31-24-7-4-18(14-28-24)26(35)34-20-5-6-21(34)13-19(12-20)32-36-22-8-10-33(3)11-9-22/h4,7,14-15,20-22H,5-6,8-13H2,1-3H3,(H,28,30,31)/b32-19-/t20-,21+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair