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BDBM50004492 CCK7 analogue::CHEMBL98720

SMILES: CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@H](NC(=O)CCc2ccc(OS(O)(=O)=O)cc2)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=WDLOTEQZLXZCSI-LTLCPEALSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50004492   
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))
BDBM50004492
PNG
(CCK7 analogue | CHEMBL98720)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@H](NC(=O)CCc2ccc(OS(O)(=O)=O)cc2)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H54N8O13S/c1-2-3-12-33(42(59)52-37(24-40(56)57)44(61)51-35(41(46)58)22-28-9-5-4-6-10-28)50-43(60)36(23-29-25-47-32-13-8-7-11-31(29)32)49-39(55)26-53-21-20-34(45(53)62)48-38(54)19-16-27-14-17-30(18-15-27)66-67(63,64)65/h4-11,13-15,17-18,25,33-37,47H,2-3,12,16,19-24,26H2,1H3,(H2,46,58)(H,48,54)(H,49,55)(H,50,60)(H,51,61)(H,52,59)(H,56,57)(H,63,64,65)/t33-,34-,35-,36-,37-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex


J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50004492
PNG
(CCK7 analogue | CHEMBL98720)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@H](NC(=O)CCc2ccc(OS(O)(=O)=O)cc2)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H54N8O13S/c1-2-3-12-33(42(59)52-37(24-40(56)57)44(61)51-35(41(46)58)22-28-9-5-4-6-10-28)50-43(60)36(23-29-25-47-32-13-8-7-11-31(29)32)49-39(55)26-53-21-20-34(45(53)62)48-38(54)19-16-27-14-17-30(18-15-27)66-67(63,64)65/h4-11,13-15,17-18,25,33-37,47H,2-3,12,16,19-24,26H2,1H3,(H2,46,58)(H,48,54)(H,49,55)(H,50,60)(H,51,61)(H,52,59)(H,56,57)(H,63,64,65)/t33-,34-,35-,36-,37-/m0/s1
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type A receptor of guinea pig pancreas


J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair