BindingDB logo
myBDB logout

BDBM50002426 CHEMBL197298

SMILES: CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc(cc2)C(N)=O)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1

InChI Key: InChIKey=PSTYCKJZBHYGPY-UBFVSLLYSA-N

Data: 1 KI

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 = 50002426   
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
Oxytocin receptor


(HEK293)
BDBM50002426
PNG
(CHEMBL197298)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc(cc2)C(N)=O)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H36N4O4/c1-16(2)13-23-27(35)32-24(22-14-20-7-5-6-8-21(20)15-22)29(37)33(23)25(28(36)31-17(3)4)18-9-11-19(12-10-18)26(30)34/h5-12,16-17,22-25H,13-15H2,1-4H3,(H2,30,34)(H,31,36)(H,32,35)/t23-,24-,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
32n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair