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BDBM50283832 CHEMBL319504::N-tert-Butyl-2-[(3R,5S,7R)-2-oxo-7-phenyl-5-p-tolyl-3-(3-m-tolyl-ureido)-azepan-1-yl]-acetamide

SMILES: Cc1ccc(cc1)[C@H]1C[C@@H](NC(=O)Nc2cccc(C)c2)C(=O)N(CC(=O)NC(C)(C)C)[C@H](C1)c1ccccc1

InChI Key: InChIKey=RSXHCVGPXZSMBO-WIIGKZCBSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50283832   
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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50283832
PNG
(CHEMBL319504 | N-tert-Butyl-2-[(3R,5S,7R)-2-oxo-7-...)
Show SMILES Cc1ccc(cc1)[C@H]1C[C@@H](NC(=O)Nc2cccc(C)c2)C(=O)N(CC(=O)NC(C)(C)C)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C33H40N4O3/c1-22-14-16-24(17-15-22)26-19-28(35-32(40)34-27-13-9-10-23(2)18-27)31(39)37(21-30(38)36-33(3,4)5)29(20-26)25-11-7-6-8-12-25/h6-18,26,28-29H,19-21H2,1-5H3,(H,36,38)(H2,34,35,40)/t26-,28+,29+/m0/s1
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PC cid
PC sid
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Similars

Article
n/an/a 190n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against cholecystokinin-B (CCK-B) receptor in cortex of male hartley guinea pig.


Bioorg Med Chem Lett 4: 2877-2882 (1994)


Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50283832
PNG
(CHEMBL319504 | N-tert-Butyl-2-[(3R,5S,7R)-2-oxo-7-...)
Show SMILES Cc1ccc(cc1)[C@H]1C[C@@H](NC(=O)Nc2cccc(C)c2)C(=O)N(CC(=O)NC(C)(C)C)[C@H](C1)c1ccccc1
Show InChI InChI=1S/C33H40N4O3/c1-22-14-16-24(17-15-22)26-19-28(35-32(40)34-27-13-9-10-23(2)18-27)31(39)37(21-30(38)36-33(3,4)5)29(20-26)25-11-7-6-8-12-25/h6-18,26,28-29H,19-21H2,1-5H3,(H,36,38)(H2,34,35,40)/t26-,28+,29+/m0/s1
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 1.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig.


Bioorg Med Chem Lett 4: 2877-2882 (1994)


Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F
More data for this
Ligand-Target Pair