Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dihydroorotate dehydrogenase (quinone), mitochondrial' and Ligand = 'BDBM470573'   

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
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM470573 (US10815215, Example 233 | US11130745, Example 233 ...) Show SMILES CCn1c(nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(F)cccc2F)c1=O)C(=O)OC |r| Show InChI InChI=1S/C22H18F6N4O5/c1-4-31-18(20(34)36-3)30-32(21(31)35)15-9-16(37-10(2)22(26,27)28)11(8-14(15)25)19(33)29-17-12(23)6-5-7-13(17)24/h5-10H,4H2,1-3H3,(H,29,33)/t10-/m0/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	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller et al., 19...				Citation and Details BindingDB Entry DOI: 10.7270/Q20C4ZXM
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM470573 (US10815215, Example 233 | US11130745, Example 233 ...) Show SMILES CCn1c(nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(F)cccc2F)c1=O)C(=O)OC |r| Show InChI InChI=1S/C22H18F6N4O5/c1-4-31-18(20(34)36-3)30-32(21(31)35)15-9-16(37-10(2)22(26,27)28)11(8-14(15)25)19(33)29-17-12(23)6-5-7-13(17)24/h5-10H,4H2,1-3H3,(H,29,33)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	23.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2HQ4414
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM470573 (US10815215, Example 233 | US11130745, Example 233 ...) Show SMILES CCn1c(nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(F)cccc2F)c1=O)C(=O)OC |r| Show InChI InChI=1S/C22H18F6N4O5/c1-4-31-18(20(34)36-3)30-32(21(31)35)15-9-16(37-10(2)22(26,27)28)11(8-14(15)25)19(33)29-17-12(23)6-5-7-13(17)24/h5-10H,4H2,1-3H3,(H,29,33)/t10-/m0/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	23.5	n/a	n/a	n/a	n/a	n/a	n/a
BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION US Patent					Assay Description Assay 1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...				US Patent US10815215 (2020) BindingDB Entry DOI: 10.7270/Q2RJ4NJH
					More data for this Ligand-Target Pair