BDBM50112629 (epsilon-FITC-K-Q-W-A-V-G-H-L-M-NH2)::CHEMBL385284

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(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(N)=O

InChI Key: InChIKey=MXUKTIQKNHOQIR-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 = 50112629   

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)	BDBM50112629 ((epsilon-FITC-K-Q-W-A-V-G-H-L-M-NH2) | CHEMBL38528...) 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(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(N)=O Show InChI InChI=1S/C70H88N16O15S2/c1-35(2)25-52(65(96)82-50(60(73)91)22-24-103-6)84-66(97)54(28-40-32-74-34-78-40)81-58(90)33-77-67(98)59(36(3)4)86-61(92)37(5)79-64(95)53(26-38-31-76-49-13-8-7-11-43(38)49)85-63(94)51(20-21-57(72)89)83-62(93)48(71)12-9-10-23-75-69(102)80-39-14-17-45-44(27-39)68(99)101-70(45)46-18-15-41(87)29-55(46)100-56-30-42(88)16-19-47(56)70/h7-8,11,13-19,27,29-32,34-37,48,50-54,59,76,87-88H,9-10,12,20-26,28,33,71H2,1-6H3,(H2,72,89)(H2,73,91)(H,74,78)(H,77,98)(H,79,95)(H,81,90)(H,82,96)(H,83,93)(H,84,97)(H,85,94)(H,86,92)(H2,75,80,102)	KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70	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