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BDBM50246721 1-(4-(10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ylcarbonyl)-2-methylbenzylcarbamoyl)-L-proline-N,N-dimethylamide::CHEMBL475333

SMILES: CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cccn2Cc2ccccc12

InChI Key: InChIKey=BVLMUIWKBRMVPU-SANMLTNESA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50246721   
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 V2 receptor


(Homo sapiens (Human))
BDBM50246721
PNG
(1-(4-(10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodia...)
Show SMILES CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cccn2Cc2ccccc12 |r|
Show InChI InChI=1S/C29H33N5O3/c1-20-16-21(12-13-22(20)17-30-29(37)33-15-7-11-26(33)28(36)31(2)3)27(35)34-19-24-9-6-14-32(24)18-23-8-4-5-10-25(23)34/h4-6,8-10,12-14,16,26H,7,11,15,17-19H2,1-3H3,(H,30,37)/t26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 120n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase report...


J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair