BDBM50112640 (epsilon-DTPA-K-Q-W-A-V-G-H-L-M-NH2)::CHEMBL216961

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(N)CCCCNC(=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=BCXYJDBNNXOKNR-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50112640   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Gastrin-Releasing peptide (RAT)	BDBM50112640 ((epsilon-DTPA-K-Q-W-A-V-G-H-L-M-NH2) | CHEMBL21696...) 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(N)CCCCNC(=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/C63H98N18O19S/c1-35(2)23-45(61(98)74-43(56(66)93)16-22-101-6)76-62(99)47(25-39-27-67-34-71-39)73-49(83)28-70-63(100)55(36(3)4)78-57(94)37(5)72-60(97)46(24-38-26-69-42-13-8-7-11-40(38)42)77-59(96)44(14-15-48(65)82)75-58(95)41(64)12-9-10-17-68-50(84)29-80(31-52(87)88)20-18-79(30-51(85)86)19-21-81(32-53(89)90)33-54(91)92/h7-8,11,13,26-27,34-37,41,43-47,55,69H,9-10,12,14-25,28-33,64H2,1-6H3,(H2,65,82)(H2,66,93)(H,67,71)(H,68,84)(H,70,100)(H,72,97)(H,73,83)(H,74,98)(H,75,95)(H,76,99)(H,77,96)(H,78,94)(H,85,86)(H,87,88)(H,89,90)(H,91,92)	KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/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