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BDBM50044028 (S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-((S)-3-1H-indol-3-yl-2-isopropoxycarbonylamino-propionylamino)-6-(3-o-tolyl-ureido)-hexanoylamino]-N-methyl-succinamic acid::CHEMBL107694

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

InChI Key: InChIKey=OHDXPYVPMSQWLS-ZYADHFCISA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50044028   
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))
BDBM50044028
PNG
((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-((...)
Show SMILES CC(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H54N8O9/c1-26(2)60-43(59)50-34(23-29-25-46-32-19-11-9-17-30(29)32)40(56)47-33(20-12-13-21-45-42(58)49-31-18-10-8-14-27(31)3)39(55)48-35(24-37(52)53)41(57)51(4)36(38(44)54)22-28-15-6-5-7-16-28/h5-11,14-19,25-26,33-36,46H,12-13,20-24H2,1-4H3,(H2,44,54)(H,47,56)(H,48,55)(H,50,59)(H,52,53)(H2,45,49,58)/t33-,34-,35-,36-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.50E+3n/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)
BDBM50044028
PNG
((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-((...)
Show SMILES CC(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H54N8O9/c1-26(2)60-43(59)50-34(23-29-25-46-32-19-11-9-17-30(29)32)40(56)47-33(20-12-13-21-45-42(58)49-31-18-10-8-14-27(31)3)39(55)48-35(24-37(52)53)41(57)51(4)36(38(44)54)22-28-15-6-5-7-16-28/h5-11,14-19,25-26,33-36,46H,12-13,20-24H2,1-4H3,(H2,44,54)(H,47,56)(H,48,55)(H,50,59)(H,52,53)(H2,45,49,58)/t33-,34-,35-,36-/m0/s1
MMDB

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B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60n/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