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BDBM50046131 CHEMBL297190::CHEMBL3351059::N-(1-{[1-tert-Butoxycarbonyl-2-(1H-indol-3-yl)-ethyl]-methyl-carbamoyl}-pentyl)-3-(2-dimethylamino-3-naphthalen-1-yl-propionylamino)-succinamic acid

SMILES: CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccc2ccccc12)N(C)C)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C

InChI Key: InChIKey=JXEXTQCXQJHWAX-MGGJPQATSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50046131   
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))
BDBM50046131
PNG
(CHEMBL297190 | CHEMBL3351059 | N-(1-{[1-tert-Butox...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccc2ccccc12)N(C)C)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
Show InChI InChI=1S/C41H53N5O7/c1-8-9-20-32(39(51)46(7)35(40(52)53-41(2,3)4)23-28-25-42-31-21-13-12-19-30(28)31)43-37(49)33(24-36(47)48)44-38(50)34(45(5)6)22-27-17-14-16-26-15-10-11-18-29(26)27/h10-19,21,25,32-35,42H,8-9,20,22-24H2,1-7H3,(H,43,49)(H,44,50)(H,47,48)/t32?,33-,34-,35-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
81n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50046131
PNG
(CHEMBL297190 | CHEMBL3351059 | N-(1-{[1-tert-Butox...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccc2ccccc12)N(C)C)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
Show InChI InChI=1S/C41H53N5O7/c1-8-9-20-32(39(51)46(7)35(40(52)53-41(2,3)4)23-28-25-42-31-21-13-12-19-30(28)31)43-37(49)33(24-36(47)48)44-38(50)34(45(5)6)22-27-17-14-16-26-15-10-11-18-29(26)27/h10-19,21,25,32-35,42H,8-9,20,22-24H2,1-7H3,(H,43,49)(H,44,50)(H,47,48)/t32?,33-,34-,35-/m1/s1
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
520n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]-pCCK-8 from cholecystokinin-A receptor in guinea pig pancreatic membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair