BDBM50407275 CHEMBL2112786

SMILES: CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=AKDUACLJHDWULK-HQFKTRHESA-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 = 50407275   

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 receptor (MOUSE)	BDBM50407275 (CHEMBL2112786) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C58H74N14O8/c1-34(2)51(57(79)67-36(4)53(75)70-49(27-42-30-61-33-65-42)58(80)72-22-14-19-43(72)31-63-46(52(59)74)24-38-15-8-6-9-16-38)71-54(76)37(5)66-55(77)47(25-40-28-62-45-21-13-12-20-44(40)45)69-56(78)48(26-41-29-60-32-64-41)68-50(73)23-35(3)39-17-10-7-11-18-39/h6-13,15-18,20-21,28-30,32-37,43,46-49,51,62-63H,14,19,22-27,31H2,1-5H3,(H2,59,74)(H,60,64)(H,61,65)(H,66,77)(H,67,79)(H,68,73)(H,69,78)(H,70,75)(H,71,76)/t35-,36-,37+,43-,46+,47+,48+,49+,51+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair