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BDBM50089269 CHEMBL276192::N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2-[3-(1H-indol-3-yl)-2-(2-{2-[2-(4-sulfooxy-phenyl)-acetylamino]-hexanoylamino}-acetylamino)-propionylamino]-6-[3-(2-methyl-benzoyl)-ureido]-hexanoylamino}-N-methyl-succinamic acid

SMILES: CCCCC(NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)NC(=O)c1ccccc1C)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O

InChI Key: InChIKey=PLTWJVLMLJZTRL-UHFFFAOYSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50089269   
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)
BDBM50089269
PNG
(CHEMBL276192 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CCCCC(NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)NC(=O)c1ccccc1C)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H68N10O15S/c1-4-5-20-42(61-47(67)29-36-23-25-38(26-24-36)81-82(78,79)80)52(73)60-33-48(68)62-44(30-37-32-59-41-21-12-11-19-40(37)41)54(75)63-43(22-13-14-27-58-56(77)65-51(72)39-18-10-9-15-34(39)2)53(74)64-45(31-49(69)70)55(76)66(3)46(50(57)71)28-35-16-7-6-8-17-35/h6-12,15-19,21,23-26,32,42-46,59H,4-5,13-14,20,22,27-31,33H2,1-3H3,(H2,57,71)(H,60,73)(H,61,67)(H,62,68)(H,63,75)(H,64,74)(H,69,70)(H,78,79,80)(H2,58,65,72,77)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
0.0200n/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)
BDBM50089269
PNG
(CHEMBL276192 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CCCCC(NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)NC(=O)c1ccccc1C)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H68N10O15S/c1-4-5-20-42(61-47(67)29-36-23-25-38(26-24-36)81-82(78,79)80)52(73)60-33-48(68)62-44(30-37-32-59-41-21-12-11-19-40(37)41)54(75)63-43(22-13-14-27-58-56(77)65-51(72)39-18-10-9-15-34(39)2)53(74)64-45(31-49(69)70)55(76)66(3)46(50(57)71)28-35-16-7-6-8-17-35/h6-12,15-19,21,23-26,32,42-46,59H,4-5,13-14,20,22,27-31,33H2,1-3H3,(H2,57,71)(H,60,73)(H,61,67)(H,62,68)(H,63,75)(H,64,74)(H,69,70)(H,78,79,80)(H2,58,65,72,77)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
123n/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