Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin-releasing peptide receptor' and Ligand = 'BDBM50374870'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gastrin-releasing peptide receptor (Homo sapiens (Human))	BDBM50374870 (CHEMBL272335) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCCCCNC(=O)CCCCCN)C(C)C)C(N)=O Show InChI InChI=1S/C57H91N15O11S/c1-34(2)27-43(55(81)69-41(51(60)77)23-26-84-6)70-56(82)45(29-38-31-61-33-65-38)68-49(76)32-64-57(83)50(35(3)4)72-52(78)36(5)66-54(80)44(28-37-30-63-40-18-14-13-17-39(37)40)71-53(79)42(21-22-46(59)73)67-48(75)20-11-8-7-9-16-25-62-47(74)19-12-10-15-24-58/h13-14,17-18,30-31,33-36,41-45,50,63H,7-12,15-16,19-29,32,58H2,1-6H3,(H2,59,73)(H2,60,77)(H,61,65)(H,62,74)(H,64,83)(H,66,80)(H,67,75)(H,68,76)(H,69,81)(H,70,82)(H,71,79)(H,72,78)/t36-,41-,42-,43-,44-,45-,50-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.373	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of 125I[Tyr4]-bombesin from GRPR expressed in human PC3 cells				Bioorg Med Chem Lett 18: 2424-7 (2008) Article DOI: 10.1016/j.bmcl.2008.02.051 BindingDB Entry DOI: 10.7270/Q2WM1F87
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