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BDBM50056454 CHEMBL2371224::N-(1-Carbamoyl-2-phenyl-ethyl)-3-{[(3R,13R)-3-(1H-indol-3-ylmethyl)-3-methyl-2,5,7-trioxo-1,4,8triaza-cyclotridecane-13-carbonyl]-amino}-succinamic acid

SMILES: C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CC(=O)NCCCC[C@@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=MJIIJPLWPTZNRP-MJQNYGCISA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50056454   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50056454
PNG
(CHEMBL2371224 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{...)
Show SMILES C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CC(=O)NCCCC[C@@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H41N7O8/c1-34(18-21-19-37-23-12-6-5-11-22(21)23)33(49)40-24(13-7-8-14-36-27(42)17-28(43)41-34)31(47)39-26(16-29(44)45)32(48)38-25(30(35)46)15-20-9-3-2-4-10-20/h2-6,9-12,19,24-26,37H,7-8,13-18H2,1H3,(H2,35,46)(H,36,42)(H,38,48)(H,39,47)(H,40,49)(H,41,43)(H,44,45)/t24-,25+,26+,34-/m1/s1
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
40n/an/an/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of [3H]pCCK-8 binding to Guinea pig cortex membrane Cholecystokinin type B receptor


J Med Chem 40: 647-58 (1997)


Article DOI: 10.1021/jm9603072
BindingDB Entry DOI: 10.7270/Q2PG1SDX
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50056454
PNG
(CHEMBL2371224 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{...)
Show SMILES C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CC(=O)NCCCC[C@@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H41N7O8/c1-34(18-21-19-37-23-12-6-5-11-22(21)23)33(49)40-24(13-7-8-14-36-27(42)17-28(43)41-34)31(47)39-26(16-29(44)45)32(48)38-25(30(35)46)15-20-9-3-2-4-10-20/h2-6,9-12,19,24-26,37H,7-8,13-18H2,1H3,(H2,35,46)(H,36,42)(H,38,48)(H,39,47)(H,40,49)(H,41,43)(H,44,45)/t24-,25+,26+,34-/m1/s1
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.29E+3n/an/an/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibition of [3H]pCCK-8 binding to Cholecystokinin type A receptor of Guinea pig pancreatic membranes


J Med Chem 40: 647-58 (1997)


Article DOI: 10.1021/jm9603072
BindingDB Entry DOI: 10.7270/Q2PG1SDX
More data for this
Ligand-Target Pair