BindingDB PrimarySearch

BDBM50293603 (2S,3R,4S,4aR)-2,3,4,7-Tetrahydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one::CHEMBL98745::NARCICLASINE::cid_619061

SMILES: O[C@H]1C=C2[C@@H](NC(=O)c3c(O)c4OCOc4cc23)[C@H](O)[C@@H]1O

InChI Key: InChIKey=LZAZURSABQIKGB-AEKGRLRDSA-N

Data: 2 KI 3 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50293603
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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50293603 ((2S,3R,4S,4aR)-2,3,4,7-Tetrahydroxy-3,4,4a,5-tetra...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McMaster University Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 assessed as biotransformation of 7-benzyloxyquinoline				Bioorg Med Chem Lett 19: 3233-7 (2009) Article DOI: 10.1016/j.bmcl.2009.04.086 BindingDB Entry DOI: 10.7270/Q2X92BBG
McMaster University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50293603 ((2S,3R,4S,4aR)-2,3,4,7-Tetrahydroxy-3,4,4a,5-tetra...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McMaster University Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				J Nat Prod 74: 106-8 (2011) Article DOI: 10.1021/np100657w BindingDB Entry DOI: 10.7270/Q2N017JZ
McMaster University Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM50293603 ((2S,3R,4S,4aR)-2,3,4,7-Tetrahydroxy-3,4,4a,5-tetra...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	>4.97E+4	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 (2012) BindingDB Entry DOI: 10.7270/Q2XS5T0R
					More data for this Ligand-Target Pair
Protein skinhead-1 (Caenorhabditis elegans)	BDBM50293603 ((2S,3R,4S,4aR)-2,3,4,7-Tetrahydroxy-3,4,4a,5-tetra...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	5.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2DV1HH8
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50293603 ((2S,3R,4S,4aR)-2,3,4,7-Tetrahydroxy-3,4,4a,5-tetra...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	>4.97E+4	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 (2012) BindingDB Entry DOI: 10.7270/Q2T15278
					More data for this Ligand-Target Pair