null

SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O\C(=N/CCCN(C)C)N3C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC

InChI Key: InChIKey=WBDMEXWZCXEWGM-ISHVPQBTSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50393730   

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))	BDBM50393730 (CHEMBL2159131) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O\C(=N/CCCN(C)C)N3C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC |r| Show InChI InChI=1S/C43H77N3O13/c1-16-30-43(10,51)35(48)25(4)32(47)23(2)21-42(9,53-15)37(59-39-34-29(20-24(3)54-39)46(13)40(58-34)44-18-17-19-45(11)12)26(5)33(27(6)38(50)56-30)57-31-22-41(8,52-14)36(49)28(7)55-31/h23-31,33-37,39,48-49,51H,16-22H2,1-15H3/b44-40-/t23-,24-,25+,26+,27-,28+,29+,30-,31+,33+,34-,35-,36+,37-,39+,41-,42-,43-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using 7-BQ as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50393730 (CHEMBL2159131) Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O\C(=N/CCCN(C)C)N3C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC |r| Show InChI InChI=1S/C43H77N3O13/c1-16-30-43(10,51)35(48)25(4)32(47)23(2)21-42(9,53-15)37(59-39-34-29(20-24(3)54-39)46(13)40(58-34)44-18-17-19-45(11)12)26(5)33(27(6)38(50)56-30)57-31-22-41(8,52-14)36(49)28(7)55-31/h23-31,33-37,39,48-49,51H,16-22H2,1-15H3/b44-40-/t23-,24-,25+,26+,27-,28+,29+,30-,31+,33+,34-,35-,36+,37-,39+,41-,42-,43-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research Centre Zagreb Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 using DEF as substrate preincubated for 5 to 10 mins before substrate addition				J Med Chem 55: 6111-23 (2012) Article DOI: 10.1021/jm300356u BindingDB Entry DOI: 10.7270/Q29G5NX3
					More data for this Ligand-Target Pair