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BDBM50192822 CHEMBL3897222

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

InChI Key: InChIKey=OYBGPVIUTFUDEM-HAFACEDCSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50192822   
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


(Homo sapiens (Human))
BDBM50192822
PNG
(CHEMBL3897222)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/OCCCO)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r|
Show InChI InChI=1S/C24H28N6O3S2/c1-14-22(35-15(2)26-14)20-13-34-24(27-20)28-21-7-4-16(12-25-21)23(32)30-18-5-6-19(30)11-17(10-18)29-33-9-3-8-31/h4,7,12-13,18-19,31H,3,5-6,8-11H2,1-2H3,(H,25,27,28)/b29-17-/t18-,19+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90n/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
Vanilloid receptor


(Rattus norvegicus)
BDBM50192822
PNG
(CHEMBL3897222)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/OCCCO)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r|
Show InChI InChI=1S/C24H28N6O3S2/c1-14-22(35-15(2)26-14)20-13-34-24(27-20)28-21-7-4-16(12-25-21)23(32)30-18-5-6-19(30)11-17(10-18)29-33-9-3-8-31/h4,7,12-13,18-19,31H,3,5-6,8-11H2,1-2H3,(H,25,27,28)/b29-17-/t18-,19+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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