BindingDB PrimarySearch

BDBM50033767 3,3',4',5',7-pentahydroxy flavone::3,7,3',4',5'-Pentahydroxyflavone::3,7-Dihydroxy-2-(3,4,5-trihydroxy-phenyl)-chromen-4-one::3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one::CHEMBL170405::NSC-407331::ROBINETIN

SMILES: Oc1ccc2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O

InChI Key: InChIKey=SOEDEYVDCDYMMH-UHFFFAOYSA-N

Data: 1 KI 4 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50033767
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
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50033767 (3,3',4',5',7-pentahydroxy flavone \| 3,7,3',4',5'-P...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Inhibition of MRP1 transfected in MDCK2 cells assessed as inhibition of calcein transport				J Med Chem 52: 5311-22 (2009) Article DOI: 10.1021/jm900194w BindingDB Entry DOI: 10.7270/Q25B02H5
The Hong Kong Polytechnic University Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50033767 (3,3',4',5',7-pentahydroxy flavone \| 3,7,3',4',5'-P...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage				J Med Chem 38: 890-7 (1995) BindingDB Entry DOI: 10.7270/Q2959J6V
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Lymphocyte differentiation antigen CD38 (Homo sapiens (Human))	BDBM50033767 (3,3',4',5',7-pentahydroxy flavone \| 3,7,3',4',5'-P...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR 7200 CNRS-Universit£ de Strasbourg Curated by ChEMBL					Assay Description Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method				Bioorg Med Chem Lett 21: 3939-42 (2011) Article DOI: 10.1016/j.bmcl.2011.05.022 BindingDB Entry DOI: 10.7270/Q2SF2WJX
UMR 7200 CNRS-Universit£ de Strasbourg Curated by ChEMBL					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1)	BDBM50033767 (3,3',4',5',7-pentahydroxy flavone \| 3,7,3',4',5'-P...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration				J Med Chem 38: 890-7 (1995) BindingDB Entry DOI: 10.7270/Q2959J6V
National Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Xanthine dehydrogenase (Bos taurus (Bovine))	BDBM50033767 (3,3',4',5',7-pentahydroxy flavone \| 3,7,3',4',5'-P...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of cow milk xanthine oxidase				J Nat Prod 51: 345-348 (1988) Article DOI: 10.1021/np50056a030 BindingDB Entry DOI: 10.7270/Q2DJ5FNN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair