Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50576969'   

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))	BDBM50576969 (CHEMBL4863362) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](C\C=C/C[C@@H]2CC3=CC(=O)CC[C@]3(C)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]23[H])CC2=CC(=O)CC[C@]12C |r,t:23,50| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CYP3A4 using BFC as substrate				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113496 BindingDB Entry DOI: 10.7270/Q2S1869N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50576969 (CHEMBL4863362) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](C\C=C/C[C@@H]2CC3=CC(=O)CC[C@]3(C)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]23[H])CC2=CC(=O)CC[C@]12C |r,t:23,50| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CYP3A4 assessed as dissociation constant				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113496 BindingDB Entry DOI: 10.7270/Q2S1869N
					More data for this Ligand-Target Pair				3D Structure (crystal)