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BDBM50281689 3-{(S)-2-{N'-[(S)-2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propyl]-hydrazino}-6-[3-((S)-4-hydroxy-phenyl)-acryloylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid::CHEMBL435465

SMILES: CC(C)(C)OC(=O)N[C@H](CNN[C@@H](CCCCNC(=O)C=Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1c[nH]c2ccccc12

InChI Key: InChIKey=DVAODOWSNQODPM-AKQLPAHTSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50281689   
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))
BDBM50281689
PNG
(3-{(S)-2-{N'-[(S)-2-tert-Butoxycarbonylamino-3-(1H...)
Show SMILES CC(C)(C)OC(=O)N[C@H](CNN[C@@H](CCCCNC(=O)C=Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C44H56N8O9/c1-44(2,3)61-43(60)49-31(24-30-26-47-34-14-8-7-13-33(30)34)27-48-52-35(15-9-10-22-46-38(54)21-18-28-16-19-32(53)20-17-28)41(58)51-37(25-39(55)56)42(59)50-36(40(45)57)23-29-11-5-4-6-12-29/h4-8,11-14,16-21,26,31,35-37,47-48,52-53H,9-10,15,22-25,27H2,1-3H3,(H2,45,57)(H,46,54)(H,49,60)(H,50,59)(H,51,58)(H,55,56)/t31-,35-,36-,37-/m0/s1
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PC cid
PC sid
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Similars

Article
n/an/a 3.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-Bolton-Hunter-CCK-8 from guinea pig cortex Cholecystokinin type B receptor


Bioorg Med Chem Lett 3: 855-860 (1993)


Article DOI: 10.1016/S0960-894X(00)80680-0
BindingDB Entry DOI: 10.7270/Q2DJ5FJ9
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50281689
PNG
(3-{(S)-2-{N'-[(S)-2-tert-Butoxycarbonylamino-3-(1H...)
Show SMILES CC(C)(C)OC(=O)N[C@H](CNN[C@@H](CCCCNC(=O)C=Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C44H56N8O9/c1-44(2,3)61-43(60)49-31(24-30-26-47-34-14-8-7-13-33(30)34)27-48-52-35(15-9-10-22-46-38(54)21-18-28-16-19-32(53)20-17-28)41(58)51-37(25-39(55)56)42(59)50-36(40(45)57)23-29-11-5-4-6-12-29/h4-8,11-14,16-21,26,31,35-37,47-48,52-53H,9-10,15,22-25,27H2,1-3H3,(H2,45,57)(H,46,54)(H,49,60)(H,50,59)(H,51,58)(H,55,56)/t31-,35-,36-,37-/m0/s1
MMDB

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B.MOAD
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PC cid
PC sid
UniChem

Similars

Article
n/an/a 930n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-Bolton-Hunter-CCK-8 from guinea pig pancreas Cholecystokinin type A receptor


Bioorg Med Chem Lett 3: 855-860 (1993)


Article DOI: 10.1016/S0960-894X(00)80680-0
BindingDB Entry DOI: 10.7270/Q2DJ5FJ9
More data for this
Ligand-Target Pair