BindingDB logo
myBDB logout

3 similar compounds to monomer 50384827

Compile data set for download or QSAR
Wt: 559.6
BDBM50002422
Wt: 559.6
BDBM50002418
Wt: 491.6
BDBM50384828

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50002422,50002418,50384828   
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)
BDBM50002418
PNG
(CHEMBL196780)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)(C)C)c2ccc(OC(F)(F)F)cc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C30H36F3N3O4/c1-17(2)14-23-26(37)34-24(21-15-19-8-6-7-9-20(19)16-21)28(39)36(23)25(27(38)35-29(3,4)5)18-10-12-22(13-11-18)40-30(31,32)33/h6-13,17,21,23-25H,14-16H2,1-5H3,(H,34,37)(H,35,38)/t23-,24-,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5n/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
Oxytocin receptor


(HEK293)
BDBM50384828
PNG
(CHEMBL2035013)
Show SMILES COc1ccccc1[C@@H](N1[C@H](CC(C)C)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)C(=O)NC(C)C
Show InChI InChI=1S/C29H37N3O4/c1-17(2)14-23-27(33)31-25(21-15-19-10-6-7-11-20(19)16-21)29(35)32(23)26(28(34)30-18(3)4)22-12-8-9-13-24(22)36-5/h6-13,17-18,21,23,25-26H,14-16H2,1-5H3,(H,30,34)(H,31,33)/t23-,25-,26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
31.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human oxytocin receptor assessed as inhibition of oxytocin binding by FLIPR analysis


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002422
PNG
(CHEMBL372516)
Show SMILES CC(C)C[C@H]1N([C@H](C(=O)NC(C)(C)C)c2ccc(OC(F)(F)F)cc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C30H36F3N3O4/c1-17(2)14-23-26(37)34-24(21-15-19-8-6-7-9-20(19)16-21)28(39)36(23)25(27(38)35-29(3,4)5)18-10-12-22(13-11-18)40-30(31,32)33/h6-13,17,21,23-25H,14-16H2,1-5H3,(H,34,37)(H,35,38)/t23-,24-,25+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
158n/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