BindingDB logo
myBDB logout

BDBM50011197 3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid::CHEMBL169054

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

InChI Key: InChIKey=HSPTWXGPKMKONJ-LJWNLINESA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50011197   
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 A receptor


(Cavia porcellus)
BDBM50011197
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H46N6O8/c1-5-6-15-25(31(45)40-28(19-29(42)43)33(47)39-26(30(36)44)17-21-12-8-7-9-13-21)38-32(46)27(41-34(48)49-35(2,3)4)18-22-20-37-24-16-11-10-14-23(22)24/h7-14,16,20,25-28,37H,5-6,15,17-19H2,1-4H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,41,48)(H,42,43)/t25-,26-,27-,28-/m0/s1
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of specific [3H]propionyl-CCK-8 binding to guinea pig cortical Cholecystokinin type A receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50011197
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H46N6O8/c1-5-6-15-25(31(45)40-28(19-29(42)43)33(47)39-26(30(36)44)17-21-12-8-7-9-13-21)38-32(46)27(41-34(48)49-35(2,3)4)18-22-20-37-24-16-11-10-14-23(22)24/h7-14,16,20,25-28,37H,5-6,15,17-19H2,1-4H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,41,48)(H,42,43)/t25-,26-,27-,28-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 65n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibition of specific [3H]propionyl-CCK-8 binding to guinea pig pancreatic Cholecystokinin type B receptor


Bioorg Med Chem Lett 7: 855-860 (1997)


Article DOI: 10.1016/S0960-894X(97)00107-8
BindingDB Entry DOI: 10.7270/Q218370Q
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50011197
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H46N6O8/c1-5-6-15-25(31(45)40-28(19-29(42)43)33(47)39-26(30(36)44)17-21-12-8-7-9-13-21)38-32(46)27(41-34(48)49-35(2,3)4)18-22-20-37-24-16-11-10-14-23(22)24/h7-14,16,20,25-28,37H,5-6,15,17-19H2,1-4H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,41,48)(H,42,43)/t25-,26-,27-,28-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity in cortical cholecystokinin type B receptor in guinea pig


J Med Chem 34: 455-7 (1991)


Article DOI: 10.1021/jm00105a068
BindingDB Entry DOI: 10.7270/Q24X56RD
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50011197
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C35H46N6O8/c1-5-6-15-25(31(45)40-28(19-29(42)43)33(47)39-26(30(36)44)17-21-12-8-7-9-13-21)38-32(46)27(41-34(48)49-35(2,3)4)18-22-20-37-24-16-11-10-14-23(22)24/h7-14,16,20,25-28,37H,5-6,15,17-19H2,1-4H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,41,48)(H,42,43)/t25-,26-,27-,28-/m0/s1
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity in pancreatic cholecystokinin type A receptor in guinea pig


J Med Chem 34: 455-7 (1991)


Article DOI: 10.1021/jm00105a068
BindingDB Entry DOI: 10.7270/Q24X56RD
More data for this
Ligand-Target Pair