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BDBM50089275 CHEMBL384303::N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2-[2-(2-{2-[2-(4-hydroxy-phenyl)-acetylamino]-hexanoylamino}-acetylamino)-3-(1H-indol-3-yl)-propionylamino]-6-[3-(4-hydroxy-phenyl)-acryloylamino]-hexanoylamino}-N-methyl-succinamic acid

SMILES: CCCCC(NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)\C=C\c1ccc(O)cc1)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O

InChI Key: InChIKey=ODBRQXYFLKOEDZ-HPNDGRJYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50089275   
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


(RAT)
BDBM50089275
PNG
(CHEMBL384303 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CCCCC(NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)\C=C\c1ccc(O)cc1)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H67N9O12/c1-3-4-15-43(61-49(69)30-37-20-25-40(67)26-21-37)53(74)60-34-50(70)62-45(31-38-33-59-42-16-9-8-14-41(38)42)55(76)63-44(17-10-11-28-58-48(68)27-22-35-18-23-39(66)24-19-35)54(75)64-46(32-51(71)72)56(77)65(2)47(52(57)73)29-36-12-6-5-7-13-36/h5-9,12-14,16,18-27,33,43-47,59,66-67H,3-4,10-11,15,17,28-32,34H2,1-2H3,(H2,57,73)(H,58,68)(H,60,74)(H,61,69)(H,62,70)(H,63,76)(H,64,75)(H,71,72)/b27-22+
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.40n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-8 binding to Cholecystokinin type A receptor of rat pancreatic tissue


J Med Chem 43: 2350-5 (2000)


BindingDB Entry DOI: 10.7270/Q2FX7B4J
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50089275
PNG
(CHEMBL384303 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CCCCC(NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)\C=C\c1ccc(O)cc1)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H67N9O12/c1-3-4-15-43(61-49(69)30-37-20-25-40(67)26-21-37)53(74)60-34-50(70)62-45(31-38-33-59-42-16-9-8-14-41(38)42)55(76)63-44(17-10-11-28-58-48(68)27-22-35-18-23-39(66)24-19-35)54(75)64-46(32-51(71)72)56(77)65(2)47(52(57)73)29-36-12-6-5-7-13-36/h5-9,12-14,16,18-27,33,43-47,59,66-67H,3-4,10-11,15,17,28-32,34H2,1-2H3,(H2,57,73)(H,58,68)(H,60,74)(H,61,69)(H,62,70)(H,63,76)(H,64,75)(H,71,72)/b27-22+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
36n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type B receptor in rat cortex synaptosomes using [125I]BH-CCK-8 as radioligand


J Med Chem 43: 2350-5 (2000)


BindingDB Entry DOI: 10.7270/Q2FX7B4J
More data for this
Ligand-Target Pair