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BDBM50040319 4-CF3PhCH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Phe-NH2::CHEMBL414356

SMILES: CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1ccc(cc1)C(F)(F)F)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=BLVRWQCNRMXNHX-XUSCDXEWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50040319   
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
Gastrin releasing peptide receptor


(MOUSE)		BDBM50040319
PNG
(4-CF3PhCH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Ph...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1ccc(cc1)C(F)(F)F)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C57H69F3N14O8/c1-32(2)49(55(81)69-33(3)51(77)72-47(25-40-28-63-31-67-40)56(82)74-20-10-13-41(74)29-65-44(50(61)76)21-35-11-6-5-7-12-35)73-52(78)34(4)68-53(79)45(23-37-26-64-43-15-9-8-14-42(37)43)71-54(80)46(24-39-27-62-30-66-39)70-48(75)22-36-16-18-38(19-17-36)57(58,59)60/h5-9,11-12,14-19,26-28,30-34,41,44-47,49,64-65H,10,13,20-25,29H2,1-4H3,(H2,61,76)(H,62,66)(H,63,67)(H,68,79)(H,69,81)(H,70,75)(H,71,80)(H,72,77)(H,73,78)/t33-,34+,41-,44+,45+,46+,47+,49+/m1/s1
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PubMed
n/an/a 3.70n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.

J Med Chem 37: 439-45 (1994)


BindingDB Entry DOI: 10.7270/Q2ST7NXN
More data for this
Ligand-Target Pair