BindingDB logo
myBDB logout

BDBM50002478 3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[3-(3,4-dihydroxy-phenyl)-propionylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid; hydrate.AcOH::CHEMBL3144543::CHEMBL62184

SMILES: CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(O)c(O)c1)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O

InChI Key: InChIKey=ATJIPXCJJLCTNJ-XILBPPKJSA-N

Data: 2 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 2 hits for monomerid = 50002478   
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))
BDBM50002478
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(O)c(O)c1)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H55N7O11/c1-44(2,3)62-43(61)51-33(23-28-25-47-30-14-8-7-13-29(28)30)41(59)48-31(15-9-10-20-46-37(54)19-17-27-16-18-35(52)36(53)22-27)40(58)50-34(24-38(55)56)42(60)49-32(39(45)57)21-26-11-5-4-6-12-26/h4-8,11-14,16,18,22,25,31-34,47,52-53H,9-10,15,17,19-21,23-24H2,1-3H3,(H2,45,57)(H,46,54)(H,48,59)(H,49,60)(H,50,58)(H,51,61)(H,55,56)/t31-,32?,33?,34?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig cortex


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50002478
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)CCc1ccc(O)c(O)c1)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H55N7O11/c1-44(2,3)62-43(61)51-33(23-28-25-47-30-14-8-7-13-29(28)30)41(59)48-31(15-9-10-20-46-37(54)19-17-27-16-18-35(52)36(53)22-27)40(58)50-34(24-38(55)56)42(60)49-32(39(45)57)21-26-11-5-4-6-12-26/h4-8,11-14,16,18,22,25,31-34,47,52-53H,9-10,15,17,19-21,23-24H2,1-3H3,(H2,45,57)(H,46,54)(H,48,59)(H,49,60)(H,50,58)(H,51,61)(H,55,56)/t31-,32?,33?,34?/m0/s1
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig pancreas.


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair