Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Flavin reductase (NADPH)' and Ligand = 'BDBM50061625'   

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
Flavin reductase (NADPH) (Homo sapiens)	BDBM50061625 (4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...) Show SMILES CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12 Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human N-terminal His6-tagged and thrombin cleavage fused BLVRB expressed in Escherichia coli BL21 (DE3) assessed as dissociation ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01664 BindingDB Entry DOI: 10.7270/Q2RJ4PB7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Flavin reductase (NADPH) (Homo sapiens)	BDBM50061625 (4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...) Show SMILES CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12 Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2K64P6F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Flavin reductase (NADPH) (Homo sapiens)	BDBM50061625 (4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthal...) Show SMILES CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(O)=O)ccc12 Show InChI InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human N-terminal His6-tagged and thrombin cleavage fused BLVRB expressed in Escherichia coli BL21 (DE3) assessed as dissociation ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01664 BindingDB Entry DOI: 10.7270/Q2RJ4PB7
					More data for this Ligand-Target Pair				3D Structure (crystal)