BDBM50238899 CHEMBL4066521

SMILES: CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC

InChI Key: InChIKey=YTRFXKVYDHVLNZ-PIIAZFBGSA-O

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 = 50238899   

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
N-formyl peptide receptor 2 (Homo sapiens (Human))	BDBM50238899 (CHEMBL4066521) Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,wD:19.20,(17.07,-33.47,;15.74,-32.7,;15.74,-31.16,;17.07,-30.39,;18.39,-31.16,;14.39,-30.39,;14.38,-28.86,;13.06,-28.1,;11.73,-28.87,;10.39,-28.1,;10.39,-26.04,;9.04,-25.29,;9.04,-23.75,;10.37,-22.97,;11.7,-23.74,;11.7,-25.27,;13.03,-26.04,;13.03,-27.6,;14.39,-25.27,;15.74,-26.04,;15.74,-27.6,;17.07,-28.36,;17.07,-29.9,;18.4,-30.67,;19.73,-29.9,;17.08,-25.27,;17.08,-23.71,;18.42,-26.04,;18.43,-27.58,;19.76,-28.34,;21.09,-27.57,;21.09,-26.03,;22.43,-28.34,;23.75,-27.57,;23.76,-26.02,;25.09,-25.26,;25.08,-23.71,;26.41,-22.94,;26.41,-21.4,;25.09,-28.33,;25.1,-29.86,;26.42,-27.55,;27.75,-28.33,;27.76,-29.86,;29.1,-30.62,;30.43,-29.85,;29.1,-32.16,;30.43,-32.93,;31.76,-32.16,;33.1,-32.92,;34.43,-32.15,;35.76,-32.92,;37.09,-32.14,;30.44,-34.47,;29.11,-35.24,;31.77,-35.23,;31.78,-36.77,;30.44,-37.55,;30.45,-39.08,;31.78,-39.84,;29.12,-39.86,;29.12,-41.4,;30.46,-42.17,;30.46,-43.71,;31.8,-44.48,;33.13,-43.7,;34.47,-44.47,;27.79,-42.17,;26.45,-41.4,;27.79,-43.71,;29.13,-44.48,;29.13,-46.03,;27.8,-46.8,;27.8,-48.34,;26.46,-46.03,;26.46,-44.49,;25.12,-43.72,;25.12,-42.18,;23.79,-41.41,;22.45,-42.18,;22.46,-43.74,;23.8,-44.5,;33.1,-34.46,;34.43,-35.23,;34.43,-36.76,;35.77,-37.53,;37.1,-36.76,;37.09,-35.21,;35.76,-34.45,;26.42,-26.02,;27.75,-25.25,;29.08,-26.01,;30.41,-25.24,;30.41,-23.7,;29.06,-22.94,;27.74,-23.71,;19.76,-25.27,;19.75,-23.73,;21.09,-22.97,;21.08,-21.42,;19.74,-20.66,;18.41,-21.44,;18.42,-22.97,;9.06,-28.89,;7.73,-28.13,;6.41,-28.91,;6.43,-30.45,;7.75,-31.21,;9.07,-30.43,;10.42,-31.19,;11.74,-30.41,;13.08,-31.18,;5.08,-31.22,;3.74,-30.45,;2.41,-31.22,;5.08,-32.75,;3.74,-33.52,)| Show InChI InChI=1S/C92H123N15O10/c1-5-102(6-2)71-45-47-75-81(61-71)117-82-62-72(103(7-3)8-4)46-48-76(82)87(75)73-39-21-22-40-74(73)88(112)101-80(44-26-30-56-96)92(116)107(66-70-37-19-12-20-38-70)60-52-86(111)100-79(43-25-29-55-95)91(115)106(65-69-35-17-11-18-36-69)59-51-85(110)99-78(42-24-28-54-94)90(114)105(64-68-33-15-10-16-34-68)58-50-84(109)98-77(41-23-27-53-93)89(113)104(57-49-83(97)108)63-67-31-13-9-14-32-67/h9-22,31-40,45-48,61-62,77-80H,5-8,23-30,41-44,49-60,63-66,93-96H2,1-4H3,(H5-,97,98,99,100,101,108,109,110,111,112)/p+1/t77-,78-,79-,80-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND				J Med Chem 60: 6991-6997 (2017) Article DOI: 10.1021/acs.jmedchem.7b00489 BindingDB Entry DOI: 10.7270/Q2V40XFR
					More data for this Ligand-Target Pair