BindingDB logo
myBDB logout

BDBM50033585 CHEMBL153760::[1-(1-Hydroxymethyl-2-phenyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-1-methyl-ethyl]-carbamic acid 2-chloro-adamantan-1-yl ester

SMILES: C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC12C[C@H]3C[C@H](C[C@H](C3)C1Cl)C2)C(=O)N[C@H](CO)Cc1ccccc1

InChI Key: InChIKey=DBWPNUKBARPCAA-PXOJHVCZSA-N

Data: 2 IC50

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 2 hits for monomerid = 50033585   
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


(MOUSE)
BDBM50033585
PNG
(CHEMBL153760 | [1-(1-Hydroxymethyl-2-phenyl-ethylc...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC12C[C@H]3C[C@H](C[C@H](C3)C1Cl)C2)C(=O)N[C@H](CO)Cc1ccccc1
Show InChI InChI=1S/C32H38ClN3O4/c1-31(17-24-18-34-27-10-6-5-9-26(24)27,29(38)35-25(19-37)14-20-7-3-2-4-8-20)36-30(39)40-32-15-21-11-22(16-32)13-23(12-21)28(32)33/h2-10,18,21-23,25,28,34,37H,11-17,19H2,1H3,(H,35,38)(H,36,39)/t21-,22+,23-,25-,28?,31+,32?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.80n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50033585
PNG
(CHEMBL153760 | [1-(1-Hydroxymethyl-2-phenyl-ethylc...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC12C[C@H]3C[C@H](C[C@H](C3)C1Cl)C2)C(=O)N[C@H](CO)Cc1ccccc1
Show InChI InChI=1S/C32H38ClN3O4/c1-31(17-24-18-34-27-10-6-5-9-26(24)27,29(38)35-25(19-37)14-20-7-3-2-4-8-20)36-30(39)40-32-15-21-11-22(16-32)13-23(12-21)28(32)33/h2-10,18,21-23,25,28,34,37H,11-17,19H2,1H3,(H,35,38)(H,36,39)/t21-,22+,23-,25-,28?,31+,32?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 711n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas.


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair