BDBM50112627 (alpha-FITC-epsilon-DOTA-K-Q-W-A-V-G-H-L-M-NH2)::CHEMBL385735

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)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(N)=O

InChI Key: InChIKey=PPPYJPUSWDYQJS-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 = 50112627   

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)	BDBM50112627 ((alpha-FITC-epsilon-DOTA-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)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(N)=O Show InChI InChI=1S/C86H114N20O22S2/c1-47(2)33-64(81(123)97-61(76(88)118)22-32-130-6)99-82(124)66(36-52-40-89-46-93-52)96-70(110)41-92-83(125)75(48(3)4)102-77(119)49(5)94-80(122)65(34-50-39-91-60-12-8-7-11-55(50)60)100-79(121)63(20-21-69(87)109)98-78(120)62(13-9-10-23-90-71(111)42-103-24-26-104(43-72(112)113)28-30-106(45-74(116)117)31-29-105(27-25-103)44-73(114)115)101-85(129)95-51-14-17-57-56(35-51)84(126)128-86(57)58-18-15-53(107)37-67(58)127-68-38-54(108)16-19-59(68)86/h7-8,11-12,14-19,35,37-40,46-49,61-66,75,91,107-108H,9-10,13,20-34,36,41-45H2,1-6H3,(H2,87,109)(H2,88,118)(H,89,93)(H,90,111)(H,92,125)(H,94,122)(H,96,110)(H,97,123)(H,98,120)(H,99,124)(H,100,121)(H,102,119)(H,112,113)(H,114,115)(H,116,117)(H2,95,101,129)	KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	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