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BDBM50044038 (S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-[(S)-3-1H-indol-3-yl-2-(2,2,2-trifluoro-acetylamino)-propionylamino]-6-(3-o-tolyl-ureido)-hexanoylamino]-N-methyl-succinamic acid::CHEMBL104598

SMILES: CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)F

InChI Key: InChIKey=GKKCSRUSTYGKFF-YRCZKMHPSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50044038   
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))
BDBM50044038
PNG
((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-[(...)
Show SMILES CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)F
Show InChI InChI=1S/C41H47F3N8O8/c1-24-12-6-8-16-28(24)51-40(60)46-19-11-10-18-30(48-37(57)31(50-39(59)41(42,43)44)21-26-23-47-29-17-9-7-15-27(26)29)36(56)49-32(22-34(53)54)38(58)52(2)33(35(45)55)20-25-13-4-3-5-14-25/h3-9,12-17,23,30-33,47H,10-11,18-22H2,1-2H3,(H2,45,55)(H,48,57)(H,49,56)(H,50,59)(H,53,54)(H2,46,51,60)/t30-,31-,32-,33-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of specific binding to Cholecystokinin type B receptor in guinea pig cortex using [125I]Bolton-Hunter CCK-8


J Med Chem 37: 309-13 (1994)


Article DOI: 10.1021/jm00028a015
BindingDB Entry DOI: 10.7270/Q2445N4S
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50044038
PNG
((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-[(...)
Show SMILES CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)F
Show InChI InChI=1S/C41H47F3N8O8/c1-24-12-6-8-16-28(24)51-40(60)46-19-11-10-18-30(48-37(57)31(50-39(59)41(42,43)44)21-26-23-47-29-17-9-7-15-27(26)29)36(56)49-32(22-34(53)54)38(58)52(2)33(35(45)55)20-25-13-4-3-5-14-25/h3-9,12-17,23,30-33,47H,10-11,18-22H2,1-2H3,(H2,45,55)(H,48,57)(H,49,56)(H,50,59)(H,53,54)(H2,46,51,60)/t30-,31-,32-,33-/m0/s1
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]Bolton-Hunter CCK-8 binding to cholecystokinin type A receptor in guinea pig pancreas


J Med Chem 37: 309-13 (1994)


Article DOI: 10.1021/jm00028a015
BindingDB Entry DOI: 10.7270/Q2445N4S
More data for this
Ligand-Target Pair