Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dihydroorotate dehydrogenase (quinone), mitochondrial' and Ligand = 'BDBM470553'   

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))	BDBM470553 (1-(4-[(2,6-difluorophenyl)carbamoyl]-3-{[(2S)-1,1,...) Show SMILES CCn1c(nn(-c2ccc(C(=O)Nc3c(F)cccc3F)c(O[C@@H](C)C(F)(F)F)c2)c1=O)C(O)=O |r| Show InChI InChI=1S/C21H17F5N4O5/c1-3-29-17(19(32)33)28-30(20(29)34)11-7-8-12(15(9-11)35-10(2)21(24,25)26)18(31)27-16-13(22)5-4-6-14(16)23/h4-10H,3H2,1-2H3,(H,27,31)(H,32,33)/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	9	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
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM470553 (1-(4-[(2,6-difluorophenyl)carbamoyl]-3-{[(2S)-1,1,...) Show SMILES CCn1c(nn(-c2ccc(C(=O)Nc3c(F)cccc3F)c(O[C@@H](C)C(F)(F)F)c2)c1=O)C(O)=O |r| Show InChI InChI=1S/C21H17F5N4O5/c1-3-29-17(19(32)33)28-30(20(29)34)11-7-8-12(15(9-11)35-10(2)21(24,25)26)18(31)27-16-13(22)5-4-6-14(16)23/h4-10H,3H2,1-2H3,(H,27,31)(H,32,33)/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	9	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))	BDBM470553 (1-(4-[(2,6-difluorophenyl)carbamoyl]-3-{[(2S)-1,1,...) Show SMILES CCn1c(nn(-c2ccc(C(=O)Nc3c(F)cccc3F)c(O[C@@H](C)C(F)(F)F)c2)c1=O)C(O)=O |r| Show InChI InChI=1S/C21H17F5N4O5/c1-3-29-17(19(32)33)28-30(20(29)34)11-7-8-12(15(9-11)35-10(2)21(24,25)26)18(31)27-16-13(22)5-4-6-14(16)23/h4-10H,3H2,1-2H3,(H,27,31)(H,32,33)/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	9	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