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BDBM50045811 CHEMBL96036::[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-acetic acid

SMILES: CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC(O)=O

InChI Key: InChIKey=QHGGFOXLYSDROG-MRPHCUBESA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50045811   
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))
BDBM50045811
PNG
(CHEMBL96036 | [2-(Adamantan-2-yloxycarbonylamino)-...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC(O)=O
Show InChI InChI=1S/C25H31N3O5/c1-25(23(31)27-13-21(29)30,11-18-12-26-20-5-3-2-4-19(18)20)28-24(32)33-22-16-7-14-6-15(9-16)10-17(22)8-14/h2-5,12,14-17,22,26H,6-11,13H2,1H3,(H,27,31)(H,28,32)(H,29,30)/t14-,15+,16-,17+,22?,25?
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UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
986n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type B receptor in guinea pig brain cortex


J Med Chem 36: 2868-77 (1993)


Article DOI: 10.1021/jm00072a005
BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50045811
PNG
(CHEMBL96036 | [2-(Adamantan-2-yloxycarbonylamino)-...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC(O)=O
Show InChI InChI=1S/C25H31N3O5/c1-25(23(31)27-13-21(29)30,11-18-12-26-20-5-3-2-4-19(18)20)28-24(32)33-22-16-7-14-6-15(9-16)10-17(22)8-14/h2-5,12,14-17,22,26H,6-11,13H2,1H3,(H,27,31)(H,28,32)(H,29,30)/t14-,15+,16-,17+,22?,25?
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type A receptor in guinea pig pancreatic membranes


J Med Chem 36: 2868-77 (1993)


Article DOI: 10.1021/jm00072a005
BindingDB Entry DOI: 10.7270/Q2MG7NK5
More data for this
Ligand-Target Pair