BindingDB logo
myBDB logout

BDBM50061833 (R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(S)-3-(1H-indol-3-yl)-2-(2-{(S)-2-[2-(4-sulfooxy-phenyl)-acetylamino]-hexanoylamino}-acetylamino)-propionylamino]-hexanoylamino}-N-methyl-succinamic acid::CHEMBL345049

SMILES: CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=YHDUEGBFQQMFAU-IMEMCKAMSA-N

Data: 2 KI

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 = 50061833   
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


(RAT)
BDBM50061833
PNG
((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...)
Show SMILES CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-37(25-31-27-49-34-18-12-11-15-33(31)34)46(63)53-36(17-7-5-2)45(62)54-38(26-42(58)59)47(64)55(3)39(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38+,39-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue


J Med Chem 40: 4302-7 (1998)


Article DOI: 10.1021/jm970477u
BindingDB Entry DOI: 10.7270/Q2B858TF
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50061833
PNG
((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...)
Show SMILES CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-37(25-31-27-49-34-18-12-11-15-33(31)34)46(63)53-36(17-7-5-2)45(62)54-38(26-42(58)59)47(64)55(3)39(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38+,39-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
430n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes


J Med Chem 40: 4302-7 (1998)


Article DOI: 10.1021/jm970477u
BindingDB Entry DOI: 10.7270/Q2B858TF
More data for this
Ligand-Target Pair