BDBM50112616 (alpha,epsilon-(FITC)2-K-G-S-G-Q-W-A-V-G-H-L-M-NH2)::CHEMBL438179

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)CNC(=O)C(CO)NC(=O)CNC(=O)C(CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(N)=O

InChI Key: InChIKey=FQPJFUCUTUXGHE-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 = 50112616   

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)	BDBM50112616 ((alpha,epsilon-(FITC)2-K-G-S-G-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)CNC(=O)C(CO)NC(=O)CNC(=O)C(CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(N)=O Show InChI InChI=1S/C98H110N20O24S3/c1-47(2)31-71(90(134)114-68(84(100)128)28-30-145-6)115-91(135)73(35-53-41-101-46-107-53)112-81(126)44-106-92(136)83(48(3)4)118-85(129)49(5)108-89(133)72(32-50-40-103-67-12-8-7-11-58(50)67)116-88(132)70(26-27-79(99)124)111-80(125)42-105-87(131)74(45-119)113-82(127)43-104-86(130)69(117-96(144)110-52-15-21-62-60(34-52)94(138)142-98(62)65-24-18-56(122)38-77(65)140-78-39-57(123)19-25-66(78)98)13-9-10-29-102-95(143)109-51-14-20-61-59(33-51)93(137)141-97(61)63-22-16-54(120)36-75(63)139-76-37-55(121)17-23-64(76)97/h7-8,11-12,14-25,33-34,36-41,46-49,68-74,83,103,119-123H,9-10,13,26-32,35,42-45H2,1-6H3,(H2,99,124)(H2,100,128)(H,101,107)(H,104,130)(H,105,131)(H,106,136)(H,108,133)(H,111,125)(H,112,126)(H,113,127)(H,114,134)(H,115,135)(H,116,132)(H,118,129)(H2,102,109,143)(H2,110,117,144)	KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20.5	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