BDBM50238901 CHEMBL4072333

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(=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)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC

InChI Key: InChIKey=POGIFBQZECNFBE-PBAUYPLHSA-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 = 50238901   

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))	BDBM50238901 (CHEMBL4072333) 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(=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)Cc3ccccc3)Cc3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:33.34,47.48,61.62,89.90,wD:19.20,75.76,103.104,(13.98,-17.41,;12.65,-16.65,;12.65,-15.1,;13.98,-14.33,;15.3,-15.1,;11.3,-14.33,;11.29,-12.81,;9.97,-12.05,;8.65,-12.82,;7.31,-12.05,;7.31,-10,;5.96,-9.24,;5.96,-7.7,;7.29,-6.93,;8.62,-7.69,;8.62,-9.22,;9.95,-9.99,;9.95,-11.55,;11.3,-9.22,;12.65,-9.99,;12.65,-11.55,;13.97,-12.31,;13.97,-13.85,;15.31,-14.61,;16.63,-13.85,;13.99,-9.22,;13.99,-7.67,;15.33,-9.99,;15.34,-11.53,;16.66,-12.29,;17.99,-11.52,;18,-9.98,;19.33,-12.29,;20.65,-11.52,;20.65,-9.97,;21.98,-9.21,;21.98,-7.67,;23.31,-6.9,;23.3,-5.36,;21.99,-12.28,;21.99,-13.81,;23.32,-11.5,;24.65,-12.27,;24.65,-13.81,;25.99,-14.57,;27.32,-13.8,;25.99,-16.1,;27.32,-16.87,;28.65,-16.1,;29.98,-16.86,;31.31,-16.09,;32.65,-16.86,;33.97,-16.09,;27.33,-18.41,;26,-19.18,;28.66,-19.17,;28.66,-20.71,;27.33,-21.48,;27.34,-23.01,;28.67,-23.78,;26.01,-23.79,;26.01,-25.33,;27.35,-26.09,;27.35,-27.63,;28.69,-28.4,;30.02,-27.63,;31.35,-28.39,;24.68,-26.1,;23.34,-25.33,;24.68,-27.64,;26.02,-28.41,;26.02,-29.95,;24.69,-30.72,;23.36,-29.95,;24.69,-32.26,;23.36,-33.03,;22.03,-32.27,;20.7,-33.04,;19.36,-32.27,;18.03,-33.05,;16.69,-32.28,;23.37,-34.57,;24.7,-35.34,;22.03,-35.35,;22.04,-36.89,;20.71,-37.66,;20.71,-39.2,;22.05,-39.97,;19.38,-39.97,;19.38,-41.51,;20.72,-42.28,;20.72,-43.82,;22.06,-44.59,;23.39,-43.81,;24.72,-44.58,;18.05,-42.29,;16.71,-41.52,;18.05,-43.83,;19.39,-44.59,;19.39,-46.13,;20.73,-46.9,;22.06,-46.13,;20.73,-48.44,;19.4,-49.22,;18.06,-48.45,;16.73,-49.22,;15.4,-48.45,;14.06,-49.23,;12.73,-48.46,;19.4,-50.76,;20.74,-51.52,;18.07,-51.53,;18.08,-53.07,;19.41,-53.84,;19.41,-55.38,;20.75,-56.14,;18.08,-56.15,;16.74,-50.76,;15.4,-51.53,;14.07,-50.76,;12.74,-51.53,;12.74,-53.07,;14.09,-53.84,;15.41,-53.07,;16.72,-44.6,;15.39,-43.83,;15.39,-42.29,;14.05,-41.53,;12.72,-42.3,;12.73,-43.85,;14.06,-44.61,;20.7,-34.58,;19.37,-35.35,;18.03,-34.58,;16.7,-35.35,;16.7,-36.9,;18.05,-37.66,;19.37,-36.89,;23.35,-28.41,;22.02,-27.65,;22.02,-26.11,;20.69,-25.34,;19.35,-26.11,;19.36,-27.66,;20.7,-28.42,;29.99,-18.4,;31.31,-19.17,;31.32,-20.7,;32.65,-21.47,;33.98,-20.69,;33.97,-19.15,;32.64,-18.39,;23.31,-9.97,;24.64,-9.2,;25.97,-9.97,;27.3,-9.2,;27.29,-7.66,;25.95,-6.9,;24.63,-7.67,;16.66,-9.22,;16.65,-7.68,;17.99,-6.92,;17.99,-5.38,;16.65,-4.62,;15.32,-5.4,;15.33,-6.93,;5.98,-12.84,;4.66,-12.08,;3.34,-12.86,;3.36,-14.39,;4.67,-15.15,;5.99,-14.37,;7.34,-15.14,;8.66,-14.36,;9.99,-15.12,;2.01,-15.16,;.67,-14.39,;-.67,-15.16,;2.01,-16.69,;.67,-17.46,)| Show InChI InChI=1S/C140H192N24O16/c1-5-156(6-2)110-69-71-114-123(94-110)180-124-95-111(157(7-3)8-4)70-72-115(124)132(114)112-60-30-31-61-113(112)133(172)155-122(68-38-45-86-147)140(179)164(102-109-58-28-15-29-59-109)93-79-131(171)154-121(67-37-44-85-146)139(178)163(101-108-56-26-14-27-57-108)92-78-130(170)153-120(66-36-43-84-145)138(177)162(100-107-54-24-13-25-55-107)91-77-129(169)152-119(65-35-42-83-144)137(176)161(99-106-52-22-12-23-53-106)90-76-128(168)151-118(64-34-41-82-143)136(175)160(98-105-50-20-11-21-51-105)89-75-127(167)150-117(63-33-40-81-142)135(174)159(97-104-48-18-10-19-49-104)88-74-126(166)149-116(62-32-39-80-141)134(173)158(87-73-125(148)165)96-103-46-16-9-17-47-103/h9-31,46-61,69-72,94-95,116-122H,5-8,32-45,62-68,73-93,96-102,141-147H2,1-4H3,(H8-,148,149,150,151,152,153,154,155,165,166,167,168,169,170,171,172)/p+1/t116-,117-,118-,119-,120-,121-,122-/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	35	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Opioid receptor mu 2 affinity against the receptor site model site 2(mu2)				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