BDBM50259874 (-)-dihydroclusin::CHEMBL469916

SMILES: COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc3OCOc3c2)cc(OC)c1OC

InChI Key: InChIKey=FDHFWHRGVDRJIK-IRXDYDNUSA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50259874   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50259874 ((-)-dihydroclusin | CHEMBL469916) Show SMILES COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc3OCOc3c2)cc(OC)c1OC |r| Show InChI InChI=1S/C22H28O7/c1-25-20-9-15(10-21(26-2)22(20)27-3)7-17(12-24)16(11-23)6-14-4-5-18-19(8-14)29-13-28-18/h4-5,8-10,16-17,23-24H,6-7,11-13H2,1-3H3/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Mechanism based inhibition of human cytochrome P450 3A4 measured by (14C)formaldehyde production from (N-methyl-14C)-erythromycin				Curr Drug Metab 6: 413-54 (2005) BindingDB Entry DOI: 10.7270/Q2VQ33X3
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50259874 ((-)-dihydroclusin | CHEMBL469916) Show SMILES COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc3OCOc3c2)cc(OC)c1OC |r| Show InChI InChI=1S/C22H28O7/c1-25-20-9-15(10-21(26-2)22(20)27-3)7-17(12-24)16(11-23)6-14-4-5-18-19(8-14)29-13-28-18/h4-5,8-10,16-17,23-24H,6-7,11-13H2,1-3H3/t16-,17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Toyama Medical and Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human liver microsome CYP2D6 in assessed as [14C]formaldehyde formation				J Nat Prod 68: 64-8 (2005) Article DOI: 10.1021/np0401765 BindingDB Entry DOI: 10.7270/Q26M37Q4
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50259874 ((-)-dihydroclusin | CHEMBL469916) Show SMILES COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc3OCOc3c2)cc(OC)c1OC |r| Show InChI InChI=1S/C22H28O7/c1-25-20-9-15(10-21(26-2)22(20)27-3)7-17(12-24)16(11-23)6-14-4-5-18-19(8-14)29-13-28-18/h4-5,8-10,16-17,23-24H,6-7,11-13H2,1-3H3/t16-,17-/m0/s1	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	800	n/a	n/a	n/a	n/a	n/a	n/a
Toyama Medical and Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human liver microsome CYP3A4 in assessed as [14C]formaldehyde formation				J Nat Prod 68: 64-8 (2005) Article DOI: 10.1021/np0401765 BindingDB Entry DOI: 10.7270/Q26M37Q4
					More data for this Ligand-Target Pair