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BDBM50056098 1-(3-Dimethylamino-phenyl)-3-[(R)-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-urea::CHEMBL332931

SMILES: CN(C)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1

InChI Key: InChIKey=FSFFUAFLXQLAQX-MHZLTWQESA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50056098   
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
CCKBR


(RAT)
BDBM50056098
PNG
(1-(3-Dimethylamino-phenyl)-3-[(R)-1-(3,3-dimethyl-...)
Show SMILES CN(C)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C30H33N5O3/c1-30(2,3)25(36)19-35-24-17-10-9-16-23(24)26(20-12-7-6-8-13-20)32-27(28(35)37)33-29(38)31-21-14-11-15-22(18-21)34(4)5/h6-18,27H,19H2,1-5H3,(H2,31,33,38)/t27-/m0/s1
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 0.210n/an/an/an/an/an/a



Ferring Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [125I]-CCK-8 binding to gastrin/Cholecystokinin type B receptor from rat brain


J Med Chem 40: 331-41 (1997)


Article DOI: 10.1021/jm960669+
BindingDB Entry DOI: 10.7270/Q2VM4BBQ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50056098
PNG
(1-(3-Dimethylamino-phenyl)-3-[(R)-1-(3,3-dimethyl-...)
Show SMILES CN(C)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show InChI InChI=1S/C30H33N5O3/c1-30(2,3)25(36)19-35-24-17-10-9-16-23(24)26(20-12-7-6-8-13-20)32-27(28(35)37)33-29(38)31-21-14-11-15-22(18-21)34(4)5/h6-18,27H,19H2,1-5H3,(H2,31,33,38)/t27-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 89n/an/an/an/an/an/a



Ferring Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand [3 H]L-364,718 binding to gastrin/Cholecystokinin type A receptor from rat pancreas


J Med Chem 40: 331-41 (1997)


Article DOI: 10.1021/jm960669+
BindingDB Entry DOI: 10.7270/Q2VM4BBQ
More data for this
Ligand-Target Pair