BDBM50112614 (alpha-FITC-epsilon-DTPA-K-Q-W-A-V-G-H-L-M-NH2)::CHEMBL409804

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(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)NC(=S)Nc1ccc2c(c1)C(=O)OC21C=C(CC(C)=O)Oc2cc(O)ccc12)C(C)C)C(N)=O

InChI Key: InChIKey=SQHKWFKEFJSWOR-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 = 50112614   

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)	BDBM50112614 ((alpha-FITC-epsilon-DTPA-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(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)NC(=S)Nc1ccc2c(c1)C(=O)OC21C=C(CC(C)=O)Oc2cc(O)ccc12)C(C)C)C(N)=O |t:113| Show InChI InChI=1S/C83H111N19O24S2/c1-44(2)28-61(78(121)94-58(73(85)116)21-27-128-7)96-79(122)63(32-50-36-86-43-90-50)93-66(106)37-89-80(123)72(45(3)4)99-74(117)47(6)91-77(120)62(30-48-35-88-57-13-9-8-12-53(48)57)97-76(119)60(19-20-65(84)105)95-75(118)59(14-10-11-22-87-67(107)38-101(40-69(110)111)25-23-100(39-68(108)109)24-26-102(41-70(112)113)42-71(114)115)98-82(127)92-49-15-17-55-54(31-49)81(124)126-83(55)34-52(29-46(5)103)125-64-33-51(104)16-18-56(64)83/h8-9,12-13,15-18,31,33-36,43-45,47,58-63,72,88,104H,10-11,14,19-30,32,37-42H2,1-7H3,(H2,84,105)(H2,85,116)(H,86,90)(H,87,107)(H,89,123)(H,91,120)(H,93,106)(H,94,121)(H,95,118)(H,96,122)(H,97,119)(H,99,117)(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H2,92,98,127)	KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	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