BDBM50112630 (alpha,epsilon-(DTPA)2-K-Q-W-A-V-G-H-L-M-NH2)::CHEMBL439529

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(=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=NHALKMCFBRPIRK-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 = 50112630   

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)	BDBM50112630 ((alpha,epsilon-(DTPA)2-K-Q-W-A-V-G-H-L-M-NH2) | CH...) 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(=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/C77H119N21O28S/c1-44(2)27-54(75(124)88-51(70(79)119)16-26-127-6)90-76(125)56(29-48-31-80-43-84-48)87-58(100)32-83-77(126)69(45(3)4)92-71(120)46(5)85-74(123)55(28-47-30-82-50-12-8-7-11-49(47)50)91-73(122)53(14-15-57(78)99)89-72(121)52(86-60(102)34-96(38-64(109)110)23-19-94(36-62(105)106)21-25-98(41-67(115)116)42-68(117)118)13-9-10-17-81-59(101)33-95(37-63(107)108)22-18-93(35-61(103)104)20-24-97(39-65(111)112)40-66(113)114/h7-8,11-12,30-31,43-46,51-56,69,82H,9-10,13-29,32-42H2,1-6H3,(H2,78,99)(H2,79,119)(H,80,84)(H,81,101)(H,83,126)(H,85,123)(H,86,102)(H,87,100)(H,88,124)(H,89,121)(H,90,125)(H,91,122)(H,92,120)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)	KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	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