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BDBM50052929 2-Chloro-N-[4-(5-dimethylamino-2,3,4,5-tetrahydro-benzo[b]azepine-1-carbonyl)-phenyl]-benzamide::CHEMBL118270

SMILES: CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c2ccccc12

InChI Key: InChIKey=UFEYOJAXAPVSJT-UHFFFAOYSA-N

Data: 2 IC50

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   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 = 50052929   
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
AVPR1A


(RAT)
BDBM50052929
PNG
(2-Chloro-N-[4-(5-dimethylamino-2,3,4,5-tetrahydro-...)
Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c2ccccc12
Show InChI InChI=1S/C26H26ClN3O2/c1-29(2)23-12-7-17-30(24-11-6-4-9-21(23)24)26(32)18-13-15-19(16-14-18)28-25(31)20-8-3-5-10-22(20)27/h3-6,8-11,13-16,23H,7,12,17H2,1-2H3,(H,28,31)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Otsuka Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from AVP-V1a receptor binding site in rat liver


J Med Chem 39: 3547-55 (1996)


Article DOI: 10.1021/jm960133o
BindingDB Entry DOI: 10.7270/Q2DZ07CT
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50052929
PNG
(2-Chloro-N-[4-(5-dimethylamino-2,3,4,5-tetrahydro-...)
Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c2ccccc12
Show InChI InChI=1S/C26H26ClN3O2/c1-29(2)23-12-7-17-30(24-11-6-4-9-21(23)24)26(32)18-13-15-19(16-14-18)28-25(31)20-8-3-5-10-22(20)27/h3-6,8-11,13-16,23H,7,12,17H2,1-2H3,(H,28,31)
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Otsuka Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from its AVP-V2 receptor binding site in rat kidney


J Med Chem 39: 3547-55 (1996)


Article DOI: 10.1021/jm960133o
BindingDB Entry DOI: 10.7270/Q2DZ07CT
More data for this
Ligand-Target Pair