Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM207975'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM207975 (US9266853, 5526064) Show SMILES CCCCCCCC(F)(F)CCCCCC\C=C\[C@H](C(O)N[C@@H](Cc1ccc(OCCCC)cc1)C(O)=O)[C@@](O)(CCOC)C(O)=O |r| Show InChI InChI=1S/C36H59F2NO8/c1-4-6-8-12-15-22-35(37,38)23-16-13-10-9-11-14-17-30(36(45,34(43)44)24-26-46-3)32(40)39-31(33(41)42)27-28-18-20-29(21-19-28)47-25-7-5-2/h14,17-21,30-32,39-40,45H,4-13,15-16,22-27H2,1-3H3,(H,41,42)(H,43,44)/b17-14+/t30-,31+,32?,36+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	37
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description With Preincubation: To a 96 deep well plate was added 2.5 uL of the test substance solution (x200 concentration), and 442.5 uL of Incubation Mixture,...				US Patent US9266853 (2016) BindingDB Entry DOI: 10.7270/Q2PV6J7G
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM207975 (US9266853, 5526064) Show SMILES CCCCCCCC(F)(F)CCCCCC\C=C\[C@H](C(O)N[C@@H](Cc1ccc(OCCCC)cc1)C(O)=O)[C@@](O)(CCOC)C(O)=O |r| Show InChI InChI=1S/C36H59F2NO8/c1-4-6-8-12-15-22-35(37,38)23-16-13-10-9-11-14-17-30(36(45,34(43)44)24-26-46-3)32(40)39-31(33(41)42)27-28-18-20-29(21-19-28)47-25-7-5-2/h14,17-21,30-32,39-40,45H,4-13,15-16,22-27H2,1-3H3,(H,41,42)(H,43,44)/b17-14+/t30-,31+,32?,36+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.62E+4	n/a	n/a	n/a	n/a	n/a	37
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Without Preincubation: To a 96 deep well plate was added 2.5 uL, of the test substance solution (x200 concentration), 442.5 uL of Incubation Mixture,...				US Patent US9266853 (2016) BindingDB Entry DOI: 10.7270/Q2PV6J7G
					More data for this Ligand-Target Pair