BindingDB PrimarySearch

BDBM50379533 CHEMBL2012838

SMILES: CCC(NCCCC[C@@H](C[C@@H](OC)c1ccc(F)cc1)C(=O)NO)c1ccc(F)cc1

InChI Key: InChIKey=BPGDVHWVHMDFBK-IQWVOLIVSA-N

Data: 6 KI 2 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50379533
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
Antrax lethal toxin (Bacillus anthracis)	BDBM50379533 (CHEMBL2012838) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PanThera Biopharma, LLC Curated by ChEMBL					Assay Description Inhibition of N-terminal 6-histine tagged Bacillus anthracis LF 263-C terminal catalytic domain using MCA-KKVYPYPME-Dap(Dnp)-NH2 as substrate after 4...				Bioorg Med Chem Lett 22: 2242-6 (2012) Article DOI: 10.1016/j.bmcl.2012.01.095 BindingDB Entry DOI: 10.7270/Q2MC912Q
PanThera Biopharma, LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50379533 (CHEMBL2012838) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PanThera Biopharma, LLC Curated by ChEMBL					Assay Description Inhibition of MMP-9 using OmniMMP as substrate				Bioorg Med Chem Lett 22: 2242-6 (2012) Article DOI: 10.1016/j.bmcl.2012.01.095 BindingDB Entry DOI: 10.7270/Q2MC912Q
PanThera Biopharma, LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12) (Homo sapiens (Human))	BDBM50379533 (CHEMBL2012838) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PanThera Biopharma, LLC Curated by ChEMBL					Assay Description Inhibition of MMP-12 using OmniMMP as substrate				Bioorg Med Chem Lett 22: 2242-6 (2012) Article DOI: 10.1016/j.bmcl.2012.01.095 BindingDB Entry DOI: 10.7270/Q2MC912Q
PanThera Biopharma, LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50379533 (CHEMBL2012838) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PanThera Biopharma, LLC Curated by ChEMBL					Assay Description Inhibition of MMP-3 using OmniMMP as substrate				Bioorg Med Chem Lett 22: 2242-6 (2012) Article DOI: 10.1016/j.bmcl.2012.01.095 BindingDB Entry DOI: 10.7270/Q2MC912Q
PanThera Biopharma, LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50379533 (CHEMBL2012838) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PanThera Biopharma, LLC Curated by ChEMBL					Assay Description Inhibition of MMP-1 using OmniMMP as substrate				Bioorg Med Chem Lett 22: 2242-6 (2012) Article DOI: 10.1016/j.bmcl.2012.01.095 BindingDB Entry DOI: 10.7270/Q2MC912Q
PanThera Biopharma, LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50379533 (CHEMBL2012838) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PanThera Biopharma, LLC Curated by ChEMBL					Assay Description Inhibition of MMP-14 using OmniMMP as substrate				Bioorg Med Chem Lett 22: 2242-6 (2012) Article DOI: 10.1016/j.bmcl.2012.01.095 BindingDB Entry DOI: 10.7270/Q2MC912Q
PanThera Biopharma, LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50379533 (CHEMBL2012838) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
PanThera Biopharma, LLC Curated by ChEMBL					Assay Description Inhibition of human ERG by fluorescence polarization assay				Bioorg Med Chem Lett 22: 2242-6 (2012) Article DOI: 10.1016/j.bmcl.2012.01.095 BindingDB Entry DOI: 10.7270/Q2MC912Q
PanThera Biopharma, LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50379533 (CHEMBL2012838) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
PanThera Biopharma, LLC Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 22: 2242-6 (2012) Article DOI: 10.1016/j.bmcl.2012.01.095 BindingDB Entry DOI: 10.7270/Q2MC912Q
PanThera Biopharma, LLC Curated by ChEMBL					More data for this Ligand-Target Pair