BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50240632'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Oxytocin receptor


(Homo sapiens (Human))		BDBM50240632
PNG
(CHEMBL4070222)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C43H65N11O13S2/c1-5-22(4)36-42(66)49-26(10-11-32(44)57)38(62)50-29(17-33(45)58)39(63)52-30(20-69-68-13-12-35(60)48-28(40(64)53-36)15-23-6-8-24(55)9-7-23)43(67)54-19-25(56)16-31(54)41(65)51-27(14-21(2)3)37(61)47-18-34(46)59/h6-9,21-22,25-31,36,55-56H,5,10-20H2,1-4H3,(H2,44,57)(H2,45,58)(H2,46,59)(H,47,61)(H,48,60)(H,49,66)(H,50,62)(H,51,65)(H,52,63)(H,53,64)/t22-,25-,26-,27-,28-,29-,30-,31-,36-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 0.00700n/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay

Bioorg Med Chem Lett 27: 2331-2335 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.030
BindingDB Entry DOI: 10.7270/Q2BR8V9Q
More data for this
Ligand-Target Pair