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BDBM50192813 CHEMBL3896628

SMILES: Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)OCCO)n1

InChI Key: InChIKey=WFVZKQBDAWITHK-PIIMJCKOSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50192813   
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
Vanilloid receptor


(Rattus norvegicus)
BDBM50192813
PNG
(CHEMBL3896628)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)OCCO)n1 |r|
Show InChI InChI=1S/C23H27N5O3S2/c1-13-21(33-14(2)25-13)19-12-32-23(26-19)27-20-6-3-15(11-24-20)22(30)28-16-4-5-17(28)10-18(9-16)31-8-7-29/h3,6,11-12,16-18,29H,4-5,7-10H2,1-2H3,(H,24,26,27)/t16-,17+,18+
PDB
MMDB

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UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/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))
BDBM50192813
PNG
(CHEMBL3896628)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)OCCO)n1 |r|
Show InChI InChI=1S/C23H27N5O3S2/c1-13-21(33-14(2)25-13)19-12-32-23(26-19)27-20-6-3-15(11-24-20)22(30)28-16-4-5-17(28)10-18(9-16)31-8-7-29/h3,6,11-12,16-18,29H,4-5,7-10H2,1-2H3,(H,24,26,27)/t16-,17+,18+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.20n/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