BDBM50112621 (alpha-DTPA-epsilon-FITC-K-Q-W-A-V-G-H-L-M-NH2)::CHEMBL403984

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(CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)NC(=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=VGDDIUHRYYIRAA-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 = 50112621   

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)	BDBM50112621 ((alpha-DTPA-epsilon-FITC-K-Q-W-A-V-G-H-L-M-NH2) | ...) 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(CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)NC(=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/C84H109N19O24S2/c1-44(2)29-61(79(122)96-58(74(86)117)22-28-129-6)98-80(123)63(32-49-36-87-43-91-49)95-67(107)37-90-81(124)73(45(3)4)100-75(118)46(5)92-78(121)62(30-47-35-89-57-12-8-7-11-52(47)57)99-77(120)60(20-21-66(85)106)97-76(119)59(94-68(108)38-102(40-70(111)112)26-24-101(39-69(109)110)25-27-103(41-71(113)114)42-72(115)116)13-9-10-23-88-83(128)93-48-14-17-54-53(31-48)82(125)127-84(54)55-18-15-50(104)33-64(55)126-65-34-51(105)16-19-56(65)84/h7-8,11-12,14-19,31,33-36,43-46,58-63,73,89,104-105H,9-10,13,20-30,32,37-42H2,1-6H3,(H2,85,106)(H2,86,117)(H,87,91)(H,90,124)(H,92,121)(H,94,108)(H,95,107)(H,96,122)(H,97,119)(H,98,123)(H,99,120)(H,100,118)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H2,88,93,128)	KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	276	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