Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM207974'   

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))	BDBM207974 (US9266853, 5514403) Show SMILES CCCCCCCC(F)(F)CCCCCC\C=C\[C@H](C(O)N[C@@H](Cc1ccc(OCCCC)cc1)C(=O)OC)[C@@](O)(CCOC)C(O)=O |r| Show InChI InChI=1S/C37H61F2NO8/c1-5-7-9-13-16-23-36(38,39)24-17-14-11-10-12-15-18-31(37(45,35(43)44)25-27-46-3)33(41)40-32(34(42)47-4)28-29-19-21-30(22-20-29)48-26-8-6-2/h15,18-22,31-33,40-41,45H,5-14,16-17,23-28H2,1-4H3,(H,43,44)/b18-15+/t31-,32+,33?,37+/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	1.19E+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))	BDBM207974 (US9266853, 5514403) Show SMILES CCCCCCCC(F)(F)CCCCCC\C=C\[C@H](C(O)N[C@@H](Cc1ccc(OCCCC)cc1)C(=O)OC)[C@@](O)(CCOC)C(O)=O |r| Show InChI InChI=1S/C37H61F2NO8/c1-5-7-9-13-16-23-36(38,39)24-17-14-11-10-12-15-18-31(37(45,35(43)44)25-27-46-3)33(41)40-32(34(42)47-4)28-29-19-21-30(22-20-29)48-26-8-6-2/h15,18-22,31-33,40-41,45H,5-14,16-17,23-28H2,1-4H3,(H,43,44)/b18-15+/t31-,32+,33?,37+/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	2.38E+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