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BDBM50354906 CHEMBL1837030

SMILES: COc1ccc-2c(COCc3nnc(C4CCN(CC4)c4ccccn4)n-23)c1

InChI Key: InChIKey=GETBWECATPKZGG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50354906   
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
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50354906
PNG
(CHEMBL1837030)
Show SMILES COc1ccc-2c(COCc3nnc(C4CCN(CC4)c4ccccn4)n-23)c1
Show InChI InChI=1S/C21H23N5O2/c1-27-17-5-6-18-16(12-17)13-28-14-20-23-24-21(26(18)20)15-7-10-25(11-8-15)19-4-2-3-9-22-19/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 135n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds...


Bioorg Med Chem Lett 21: 5684-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.038
BindingDB Entry DOI: 10.7270/Q2TB179T
More data for this
Ligand-Target Pair