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SMILES: CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C(C)C)C(N)=O

InChI Key: InChIKey=BPMVSUXWIMGXRV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50112643   
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


(RAT)		BDBM50112643
PNG
((DTPA-P-Q-R-Y-G-N-Q-W-A-V-G-H-L-M-NH2) | CHEMBL442...)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C88H131N27O27S/c1-46(2)31-59(83(138)104-55(76(92)131)23-30-143-6)108-84(139)62(34-51-37-95-45-100-51)102-69(121)39-99-87(142)75(47(3)4)111-77(132)48(5)101-82(137)61(33-50-36-97-54-12-8-7-11-53(50)54)110-81(136)57(19-21-65(89)117)106-85(140)63(35-67(91)119)103-68(120)38-98-78(133)60(32-49-15-17-52(116)18-16-49)109-79(134)56(13-9-24-96-88(93)94)105-80(135)58(20-22-66(90)118)107-86(141)64-14-10-25-115(64)70(122)40-113(42-72(125)126)28-26-112(41-71(123)124)27-29-114(43-73(127)128)44-74(129)130/h7-8,11-12,15-18,36-37,45-48,55-64,75,97,116H,9-10,13-14,19-35,38-44H2,1-6H3,(H2,89,117)(H2,90,118)(H2,91,119)(H2,92,131)(H,95,100)(H,98,133)(H,99,142)(H,101,137)(H,102,121)(H,103,120)(H,104,138)(H,105,135)(H,106,140)(H,107,141)(H,108,139)(H,109,134)(H,110,136)(H,111,132)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H4,93,94,96)
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4.70n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J

J Med Chem 45: 2003-15 (2002)


BindingDB Entry DOI: 10.7270/Q2CZ36GK
More data for this
Ligand-Target Pair