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SMILES: COc1cc(CN=Nc2cccc(c2)C(O)=O)c(Br)c(Br)c1OCC=C

InChI Key: InChIKey=XTWPFNIQCVPHAV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50372   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50372 (3-[(N''E)-N''-(4-allyloxy-2,3-dibromo-5-methoxy-be...) Show SMILES COc1cc(CN=Nc2cccc(c2)C(O)=O)c(Br)c(Br)c1OCC=C |w:7.7| Show InChI InChI=1S/C18H16Br2N2O4/c1-3-7-26-17-14(25-2)9-12(15(19)16(17)20)10-21-22-13-6-4-5-11(8-13)18(23)24/h3-6,8-9H,1,7,10H2,2H3,(H,23,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539
					More data for this Ligand-Target Pair
Huntingtin (Homo sapiens (Human))	BDBM50372 (3-[(N''E)-N''-(4-allyloxy-2,3-dibromo-5-methoxy-be...) Show SMILES COc1cc(CN=Nc2cccc(c2)C(O)=O)c(Br)c(Br)c1OCC=C |w:7.7| Show InChI InChI=1S/C18H16Br2N2O4/c1-3-7-26-17-14(25-2)9-12(15(19)16(17)20)10-21-22-13-6-4-5-11(8-13)18(23)24/h3-6,8-9H,1,7,10H2,2H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2N58K09
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50372 (3-[(N''E)-N''-(4-allyloxy-2,3-dibromo-5-methoxy-be...) Show SMILES COc1cc(CN=Nc2cccc(c2)C(O)=O)c(Br)c(Br)c1OCC=C |w:7.7| Show InChI InChI=1S/C18H16Br2N2O4/c1-3-7-26-17-14(25-2)9-12(15(19)16(17)20)10-21-22-13-6-4-5-11(8-13)18(23)24/h3-6,8-9H,1,7,10H2,2H3,(H,23,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q27W69N8
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50372 (3-[(N''E)-N''-(4-allyloxy-2,3-dibromo-5-methoxy-be...) Show SMILES COc1cc(CN=Nc2cccc(c2)C(O)=O)c(Br)c(Br)c1OCC=C |w:7.7| Show InChI InChI=1S/C18H16Br2N2O4/c1-3-7-26-17-14(25-2)9-12(15(19)16(17)20)10-21-22-13-6-4-5-11(8-13)18(23)24/h3-6,8-9H,1,7,10H2,2H3,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2348HSG
					More data for this Ligand-Target Pair