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BDBM50046115 2-[2-(2-{2-[2-[2-(2-Amino-3-carboxy-propionylamino)-hexanoylamino]-3-(1H-indol-3-yl)-propionylamino]-acetylamino}-hexanoylamino)-3-(4-sulfo-phenyl)-propionylamino]-succinic acid(BDNL)::CHEMBL2372780

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

InChI Key: InChIKey=WYLMHAMNXJBOQW-FVMQRRFMSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50046115   
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))
BDBM50046115
PNG
(2-[2-(2-{2-[2-[2-(2-Amino-3-carboxy-propionylamino...)
Show SMILES CCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC)C(=O)N[C@@H](Cc1ccc(cc1)S(O)(=O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C52H67N9O16S/c1-4-6-16-36(47(68)58-39(50(71)61-42(52(73)74)27-45(65)66)24-31-19-21-33(22-20-31)78(75,76)77)56-43(62)29-55-46(67)40(25-32-28-54-35-18-12-11-15-34(32)35)59-48(69)37(17-7-5-2)57-51(72)41(26-44(63)64)60-49(70)38(53-3)23-30-13-9-8-10-14-30/h8-15,18-22,28,36-42,53-54H,4-7,16-17,23-27,29H2,1-3H3,(H,55,67)(H,56,62)(H,57,72)(H,58,68)(H,59,69)(H,60,70)(H,61,71)(H,63,64)(H,65,66)(H,73,74)(H,75,76,77)/t36-,37-,38-,39-,40-,41-,42-/m0/s1
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KEGG

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KEGG
PC cid
PC sid
UniChem
PubMed
1n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


J Med Chem 36: 166-72 (1993)


BindingDB Entry DOI: 10.7270/Q26M37FJ
More data for this
Ligand-Target Pair