BindingDB PrimarySearch

BDBM17446 (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl N-(2-chloroacetyl)carbamate::CHEMBL424278::TNP-470

SMILES: [H][C@@]1([#6@H](-[#8]-[#6])-[#6@@H](-[#6]-[#6][C@]11[#6]-[#8]1)-[#8]-[#6](=O)-[#7]-[#6](=O)-[#6]Cl)[C@@]1([#6])[#8]-[#6@@H]1-[#6]\[#6]=[#6](\[#6])-[#6]

InChI Key: InChIKey=MSHZHSPISPJWHW-PVDLLORBSA-N

Data: 1 KI 6 IC50

PDB links: 4 PDB IDs match this monomer. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 17446
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17446 ((3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-m...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...				J Med Chem 50: 3777-85 (2007) Article DOI: 10.1021/jm061182w BindingDB Entry DOI: 10.7270/Q2B856D7
GSK					More data for this Ligand-Target Pair				3D Structure (docked)
Methionine aminopeptidase (MetAP1) (Plasmodium falciparum)	BDBM17446 ((3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-m...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins School of Medicine					Assay Description Enzyme affinity assay using Fumarranol analogs with plasmodium falciparum methionine aminopeptidases (PfMetAPs).				Chem Biol 16: 193-202 (2009) Article DOI: 10.1016/j.chembiol.2009.01.006 BindingDB Entry DOI: 10.7270/Q2WS8RQ5
Johns Hopkins School of Medicine					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17446 ((3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-m...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of California Santa Cruz Curated by ChEMBL					Assay Description Inhibition of methionine aminopeptidase 2				J Nat Prod 72: 588-603 (2010) Article DOI: 10.1021/np800817y BindingDB Entry DOI: 10.7270/Q2765G84
University of California Santa Cruz Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17446 ((3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-m...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of MetAP2 after 4 hrs				Bioorg Med Chem 19: 5948-54 (2011) Article DOI: 10.1016/j.bmc.2011.08.063 BindingDB Entry DOI: 10.7270/Q28P60XC
Nanjing University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17446 ((3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-m...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of MetAP2 (unknown origin) after 4 hrs				Bioorg Med Chem Lett 23: 2876-9 (2013) Article DOI: 10.1016/j.bmcl.2013.03.068 BindingDB Entry DOI: 10.7270/Q2G44RPX
Nanjing University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Methionine aminopeptidase (MetAP2) (Plasmodium falciparum)	BDBM17446 ((3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-m...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins School of Medicine					Assay Description Enzyme affinity assay using Fumarranol analogs with plasmodium falciparum methionine aminopeptidases (PfMetAPs).				Chem Biol 16: 193-202 (2009) Article DOI: 10.1016/j.chembiol.2009.01.006 BindingDB Entry DOI: 10.7270/Q2WS8RQ5
Johns Hopkins School of Medicine					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM17446 ((3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-m...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human MetAP2				J Med Chem 49: 5645-8 (2006) Article DOI: 10.1021/jm060559v BindingDB Entry DOI: 10.7270/Q2PN959W
					More data for this Ligand-Target Pair				3D Structure (docked)