BDBM50238900 CHEMBL4090485

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(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC

InChI Key: InChIKey=XOMTXQAVJZXHLI-DMPSJYFKSA-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 = 50238900   

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))	BDBM50238900 (CHEMBL4090485) 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(=O)N[C@@H](CCCCN)C(=O)N(CCC(N)=O)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,wD:19.20,75.76,(17.31,-31.78,;15.97,-31.01,;15.97,-29.47,;17.31,-28.7,;18.63,-29.46,;14.62,-28.7,;14.61,-27.17,;13.29,-26.4,;11.96,-27.18,;10.63,-26.41,;10.62,-24.35,;9.27,-23.59,;9.27,-22.05,;10.61,-21.28,;11.93,-22.05,;11.93,-23.57,;13.27,-24.35,;13.27,-25.9,;14.62,-23.57,;15.97,-24.35,;15.97,-25.9,;17.3,-26.67,;17.3,-28.21,;18.63,-28.98,;19.96,-28.21,;17.32,-23.57,;17.32,-22.02,;18.66,-24.35,;18.66,-25.89,;19.99,-26.65,;21.32,-25.88,;21.33,-24.34,;22.66,-26.65,;23.99,-25.87,;23.99,-24.33,;25.32,-23.56,;25.31,-22.02,;26.65,-21.25,;26.64,-19.71,;25.32,-26.64,;25.33,-28.17,;26.66,-25.86,;27.99,-26.63,;27.99,-28.17,;29.33,-28.93,;30.66,-28.16,;29.33,-30.47,;30.67,-31.24,;32,-30.47,;33.33,-31.23,;34.66,-30.46,;36,-31.23,;37.32,-30.45,;30.67,-32.77,;29.34,-33.55,;32,-33.54,;32.01,-35.08,;30.68,-35.85,;30.68,-37.39,;32.01,-38.15,;29.35,-38.16,;29.35,-39.71,;30.69,-40.47,;30.7,-42.02,;32.03,-42.78,;33.37,-42.01,;34.7,-42.78,;28.02,-40.48,;26.68,-39.71,;28.02,-42.02,;29.36,-42.79,;29.36,-44.33,;28.03,-45.11,;26.69,-44.34,;28.03,-46.65,;26.7,-47.42,;25.36,-46.66,;24.03,-47.43,;22.69,-46.66,;21.36,-47.44,;20.02,-46.67,;26.7,-48.97,;28.04,-49.74,;25.37,-49.74,;25.37,-51.28,;24.04,-52.06,;24.04,-53.6,;22.71,-54.37,;25.38,-54.37,;24.03,-48.97,;22.7,-49.75,;21.36,-48.98,;20.03,-49.75,;20.03,-51.29,;21.38,-52.06,;22.71,-51.28,;26.69,-42.8,;25.35,-42.03,;25.36,-40.49,;24.02,-39.72,;22.68,-40.49,;22.69,-42.04,;24.03,-42.8,;33.33,-32.77,;34.66,-33.54,;34.67,-35.07,;36,-35.84,;37.34,-35.07,;37.32,-33.52,;35.99,-32.76,;26.65,-24.33,;27.98,-23.55,;29.31,-24.32,;30.64,-23.55,;30.64,-22.01,;29.29,-21.25,;27.97,-22.02,;19.99,-23.58,;19.98,-22.03,;21.32,-21.27,;21.32,-19.73,;19.98,-18.97,;18.65,-19.75,;18.65,-21.28,;9.29,-27.2,;7.97,-26.44,;6.64,-27.22,;6.66,-28.76,;7.98,-29.51,;9.3,-28.74,;10.65,-29.5,;11.97,-28.72,;13.31,-29.48,;5.32,-29.52,;3.98,-28.76,;2.65,-29.52,;5.32,-31.06,;3.98,-31.83,)| Show InChI InChI=1S/C108H146N18O12/c1-5-120(6-2)84-53-55-88-95(72-84)138-96-73-85(121(7-3)8-4)54-56-89(96)102(88)86-46-24-25-47-87(86)103(132)119-94(52-30-35-66-113)108(137)126(78-83-44-22-13-23-45-83)71-61-101(131)118-93(51-29-34-65-112)107(136)125(77-82-42-20-12-21-43-82)70-60-100(130)117-92(50-28-33-64-111)106(135)124(76-81-40-18-11-19-41-81)69-59-99(129)116-91(49-27-32-63-110)105(134)123(75-80-38-16-10-17-39-80)68-58-98(128)115-90(48-26-31-62-109)104(133)122(67-57-97(114)127)74-79-36-14-9-15-37-79/h9-25,36-47,53-56,72-73,90-94H,5-8,26-35,48-52,57-71,74-78,109-113H2,1-4H3,(H6-,114,115,116,117,118,119,127,128,129,130,131,132)/p+1/t90-,91-,92-,93-,94-/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	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Opioid receptor affinity against Opioid receptor kappa 1 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