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SMILES: Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](O)c2ccccc12

InChI Key: InChIKey=QDPVGLNUJIYJDL-HSZRJFAPSA-N

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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 = 50239342   
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))
BDBM50239342
PNG
(CHEMBL4075127)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](O)c2ccccc12 |r|
Show InChI InChI=1S/C25H24N2O3/c1-17-7-2-3-8-20(17)24(29)26-19-14-12-18(13-15-19)25(30)27-16-6-11-23(28)21-9-4-5-10-22(21)27/h2-5,7-10,12-15,23,28H,6,11,16H2,1H3,(H,26,29)/t23-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [125I] phenylacetyl-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2 from human recombinant vasopressin V1a receptor expressed in HEK293 aft...


J Med Chem 60: 4503-4509 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00422
BindingDB Entry DOI: 10.7270/Q27946TN
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50239342
PNG
(CHEMBL4075127)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](O)c2ccccc12 |r|
Show InChI InChI=1S/C25H24N2O3/c1-17-7-2-3-8-20(17)24(29)26-19-14-12-18(13-15-19)25(30)27-16-6-11-23(28)21-9-4-5-10-22(21)27/h2-5,7-10,12-15,23,28H,6,11,16H2,1H3,(H,26,29)/t23-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.30n/an/an/an/an/an/an/an/a



Teikyo University

Curated by ChEMBL


Assay Description
Displacement of [3H] (Arg8)-vasopressin from human vasopressin V2 receptor expressed in CHOK1 cell membranes after 2 hrs by liquid scintillation coun...


J Med Chem 60: 4503-4509 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00422
BindingDB Entry DOI: 10.7270/Q27946TN
More data for this
Ligand-Target Pair