BDBM50238910 CHEMBL4103322

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

InChI Key: InChIKey=OIOWMSSANHIUTR-NVWDZAHRSA-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 = 50238910   

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))	BDBM50238910 (CHEMBL4103322) Show SMILES CCN(CC)c1ccc2c(-c3ccccc3C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:98.100,67.69,47.48,28.29,wD:87.89,74.76,58.60,39.40,19.20,(20.11,-29.83,;18.77,-29.06,;17.43,-29.83,;17.43,-31.37,;18.77,-32.14,;16.1,-29.06,;16.09,-27.53,;14.75,-26.76,;13.43,-27.54,;12.09,-26.77,;12.08,-24.71,;10.74,-23.95,;10.73,-22.4,;12.06,-21.63,;13.4,-22.39,;13.4,-23.93,;14.73,-24.69,;14.73,-26.24,;16.06,-23.92,;17.39,-24.69,;17.39,-26.23,;18.84,-27.12,;20.36,-26.84,;21.4,-28.17,;20.99,-25.64,;18.73,-23.92,;18.73,-22.38,;20.06,-24.69,;21.4,-23.92,;21.4,-22.38,;22.73,-21.61,;22.73,-20.06,;24.07,-19.3,;24.07,-17.77,;22.73,-16.99,;25.4,-16.99,;22.73,-24.69,;22.73,-26.23,;24.07,-23.92,;25.4,-24.69,;25.4,-26.23,;26.74,-27.01,;26.74,-28.55,;28.07,-26.23,;26.74,-23.92,;26.74,-22.38,;28.07,-24.69,;29.41,-23.92,;29.41,-22.38,;30.74,-21.61,;30.74,-20.06,;32.07,-19.3,;33.41,-20.06,;33.41,-21.61,;32.07,-22.38,;30.74,-24.69,;30.74,-26.23,;32.07,-23.92,;33.41,-24.69,;33.41,-26.23,;34.75,-27.01,;34.75,-28.55,;33.41,-29.31,;36.08,-29.31,;34.75,-23.92,;34.75,-22.38,;36.08,-24.69,;37.42,-23.92,;37.42,-22.38,;38.75,-21.61,;36.08,-21.61,;38.75,-24.69,;38.75,-26.23,;40.09,-23.92,;41.41,-24.69,;41.41,-26.23,;42.75,-27.01,;42.75,-28.55,;44.08,-29.31,;44.08,-30.85,;42.75,-23.92,;42.75,-22.38,;44.08,-24.69,;45.42,-23.92,;46.75,-24.69,;46.75,-26.23,;48.09,-23.92,;49.42,-24.69,;49.42,-26.23,;50.76,-27.01,;50.76,-28.55,;52.08,-29.31,;52.08,-30.85,;50.76,-31.63,;53.42,-31.63,;50.76,-23.92,;50.76,-22.38,;52.08,-24.69,;53.42,-23.92,;53.42,-22.38,;54.76,-21.61,;54.76,-20.06,;56.09,-19.3,;56.09,-17.77,;54.76,-16.99,;57.43,-16.99,;54.76,-24.69,;56.09,-23.92,;54.76,-26.23,;10.76,-27.55,;9.42,-26.8,;8.09,-27.57,;8.11,-29.11,;9.44,-29.87,;10.77,-29.09,;12.1,-29.86,;13.43,-29.08,;14.78,-29.85,;6.77,-29.88,;6.77,-31.42,;5.43,-32.19,;5.43,-29.11,;4.1,-29.88,)| Show InChI InChI=1S/C84H126N24O15/c1-9-107(10-2)51-31-33-55-65(45-51)123-66-46-52(108(11-3)12-4)32-34-56(66)70(55)53-25-16-17-26-54(53)72(112)99-60(35-37-67(86)109)76(116)100-59(29-21-41-95-83(90)91)75(115)104-63(43-48(5)6)78(118)105-64(44-50-23-14-13-15-24-50)79(119)101-61(36-38-68(87)110)77(117)106-71(49(7)8)80(120)102-57(27-18-19-39-85)73(113)97-47-69(111)98-58(28-20-40-94-82(88)89)74(114)103-62(81(121)122)30-22-42-96-84(92)93/h13-17,23-26,31-34,45-46,48-49,57-64,71H,9-12,18-22,27-30,35-44,47,85H2,1-8H3,(H26-,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,109,110,111,112,113,114,115,116,117,118,119,120,121,122)/p+1/t57-,58-,59-,60-,61-,62-,63-,64-,71-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Opioid receptor affinity against the Opioid receptor delta 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