BDBM50012301 2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-(1H-indol-3-yl)-propionylamino]-propionylamino}-N-{1-[1-(1-ethoxymethyl-3-methyl-butylcarbamoyl)-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-ethyl}-3-methyl-butyramide::CHEMBL2369387

SMILES: CCOC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C

InChI Key: InChIKey=AYBYPZJLRIZSSC-ACTMPAEPSA-N

Data: 2 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 2 hits for monomerid = 50012301   

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)	BDBM50012301 (2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propio...) Show SMILES CCOC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C Show InChI InChI=1S/C43H62N12O8/c1-8-63-21-31(13-24(2)3)52-41(60)36(16-30-19-45-23-49-30)53-37(57)20-47-43(62)38(25(4)5)55-39(58)26(6)50-40(59)34(14-28-17-46-33-12-10-9-11-32(28)33)54-42(61)35(51-27(7)56)15-29-18-44-22-48-29/h9-12,17-19,22-26,31,34-36,38,46H,8,13-16,20-21H2,1-7H3,(H,44,48)(H,45,49)(H,47,62)(H,50,59)(H,51,56)(H,52,60)(H,53,57)(H,54,61)(H,55,58)/t26-,31-,34-,35-,36-,38-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for mitogenic inhibition against Swiss 3T3 murine fibroblast cells.				J Med Chem 34: 2102-7 (1991) BindingDB Entry DOI: 10.7270/Q2X63KXB
					More data for this Ligand-Target Pair
Gastrin releasing peptide receptor (MOUSE)	BDBM50012301 (2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propio...) Show SMILES CCOC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C Show InChI InChI=1S/C43H62N12O8/c1-8-63-21-31(13-24(2)3)52-41(60)36(16-30-19-45-23-49-30)53-37(57)20-47-43(62)38(25(4)5)55-39(58)26(6)50-40(59)34(14-28-17-46-33-12-10-9-11-32(28)33)54-42(61)35(51-27(7)56)15-29-18-44-22-48-29/h9-12,17-19,22-26,31,34-36,38,46H,8,13-16,20-21H2,1-7H3,(H,44,48)(H,45,49)(H,47,62)(H,50,59)(H,51,56)(H,52,60)(H,53,57)(H,54,61)(H,55,58)/t26-,31-,34-,35-,36-,38-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition against Swiss 3T3 murine fibroblast cells.				J Med Chem 34: 2102-7 (1991) BindingDB Entry DOI: 10.7270/Q2X63KXB
					More data for this Ligand-Target Pair