Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'CAD protein'   

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
CAD protein (Homo sapiens (Human))	BDBM50010599 (6-Mercaptomethyl-2-oxo-2,3,4,5-tetrahydro-pyrimidi...) Show SMILES OC(=O)C1CC(NC(=O)N1)C=S Show InChI InChI=1S/C6H8N2O3S/c9-5(10)4-1-3(2-12)7-6(11)8-4/h2-4H,1H2,(H,9,10)(H2,7,8,11)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Mayo Clinic & Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Dihydroorotase (DHO) at pH 7.4 and 8.5				J Med Chem 33: 819-23 (1990) BindingDB Entry DOI: 10.7270/Q2ZC81VR
					More data for this Ligand-Target Pair
CAD protein (Homo sapiens (Human))	BDBM50020110 ((4S,6R)-6-Mercaptomethyl-2-oxo-hexahydro-pyrimidin...) Show SMILES OC(=O)[C@@H]1C[C@H](CS)NC(=O)N1 Show InChI InChI=1S/C6H10N2O3S/c9-5(10)4-1-3(2-12)7-6(11)8-4/h3-4,12H,1-2H2,(H,9,10)(H2,7,8,11)/t3-,4+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Compound ability to inhibit the catalytic activity of hamster Dihydroorotase (DHOase) expressed in E. coli.				J Med Chem 41: 4550-5 (1998) Article DOI: 10.1021/jm970814z BindingDB Entry DOI: 10.7270/Q26D5S58
					More data for this Ligand-Target Pair
CAD protein (Homo sapiens (Human))	BDBM50291969 ((2R,4S)-4-Mercapto-4,6-dioxo-4lambda*5*-[1,4]azaph...) Show SMILES OC(=O)[C@H]1NC(=O)CP(O)(S)=C1 Show InChI InChI=1S/C5H8NO4PS/c7-4-2-11(10,12)1-3(6-4)5(8)9/h1,3,10,12H,2H2,(H,6,7)(H,8,9)/t3-,11?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Compound ability to inhibit the catalytic activity of hamster Dihydroorotase (DHOase) expressed in E. coli.				J Med Chem 41: 4550-5 (1998) Article DOI: 10.1021/jm970814z BindingDB Entry DOI: 10.7270/Q26D5S58
					More data for this Ligand-Target Pair
CAD protein (Homo sapiens (Human))	BDBM50291969 ((2R,4S)-4-Mercapto-4,6-dioxo-4lambda*5*-[1,4]azaph...) Show SMILES OC(=O)[C@H]1NC(=O)CP(O)(S)=C1 Show InChI InChI=1S/C5H8NO4PS/c7-4-2-11(10,12)1-3(6-4)5(8)9/h1,3,10,12H,2H2,(H,6,7)(H,8,9)/t3-,11?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Compound ability to inhibit the catalytic activity of hamster Dihydroorotase (DHOase) expressed in E. coli.				J Med Chem 41: 4550-5 (1998) Article DOI: 10.1021/jm970814z BindingDB Entry DOI: 10.7270/Q26D5S58
					More data for this Ligand-Target Pair
CAD protein (Homo sapiens (Human))	BDBM50067883 (4-Hydroxy-4,6-dioxo-4lambda*5*-[1,4]azaphosphinane...) Show SMILES OC(=O)C1NC(=O)CP(O)(O)=C1 Show InChI InChI=1S/C5H8NO5P/c7-4-2-12(10,11)1-3(6-4)5(8)9/h1,3,10-11H,2H2,(H,6,7)(H,8,9)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Compound ability to inhibit the catalytic activity of hamster Dihydroorotase (DHOase) expressed in E. coli.				J Med Chem 41: 4550-5 (1998) Article DOI: 10.1021/jm970814z BindingDB Entry DOI: 10.7270/Q26D5S58
					More data for this Ligand-Target Pair
CAD protein (Homo sapiens (Human))	BDBM50010600 (CHEMBL168878 | Ethyl-3-borono-2-(carbamylamino)pro...) Show SMILES CCOC(=O)C(CB(O)O)NC(N)=O Show InChI InChI=1S/C6H13BN2O5/c1-2-14-5(10)4(3-7(12)13)9-6(8)11/h4,12-13H,2-3H2,1H3,(H3,8,9,11)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Mayo Clinic & Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Dihydroorotase (DHO) at pH 6.0				J Med Chem 33: 819-23 (1990) BindingDB Entry DOI: 10.7270/Q2ZC81VR
					More data for this Ligand-Target Pair
CAD protein (Mus musculus)	BDBM50405110 (CHEMBL306140) Show SMILES OC(=O)C1CS(=O)CC(=O)N1 Show InChI InChI=1S/C5H7NO4S/c7-4-2-11(10)1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a	7.37	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of dihydroorotase enzyme from mouse Ehrlich ascites at the concentration of 10 uM and at pH 7.37				J Med Chem 27: 228-32 (1984) BindingDB Entry DOI: 10.7270/Q2K938QV
					More data for this Ligand-Target Pair
CAD protein (Mus musculus)	BDBM50405111 (CHEMBL73819) Show SMILES OC(=O)C1CS(=O)(=O)NC(=O)N1 Show InChI InChI=1S/C4H6N2O5S/c7-3(8)2-1-12(10,11)6-4(9)5-2/h2H,1H2,(H,7,8)(H2,5,6,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5.20E+5	n/a	n/a	n/a	n/a	7.37	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of dihydroorotase enzyme from mouse Ehrlich ascites at the concentration of 10 uM and at pH 7.37				J Med Chem 27: 228-32 (1984) BindingDB Entry DOI: 10.7270/Q2K938QV
					More data for this Ligand-Target Pair
CAD protein (Mus musculus)	BDBM50405109 (CHEMBL1627199) Show SMILES CS1(=O)=NC(=O)NC(=C1)C(O)=O |c:7| Show InChI InChI=1S/C5H8N2O4S/c1-12(11)2-3(4(8)9)6-5(10)7-12/h2,12H,1H3,(H,8,9)(H2,6,7,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	7.37	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of dihydroorotase enzyme from mouse Ehrlich ascites at the concentration of 10 uM and at pH 7.37				J Med Chem 27: 228-32 (1984) BindingDB Entry DOI: 10.7270/Q2K938QV
					More data for this Ligand-Target Pair
CAD protein (Mus musculus)	BDBM50405112 (CHEMBL308628) Show SMILES NC(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C4H9N2O6P/c5-4(9)6-2(3(7)8)1-13(10,11)12/h2H,1H2,(H,7,8)(H3,5,6,9)(H2,10,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	7.37	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of dihydroorotase enzyme from mouse Ehrlich ascites at the concentration of 10 uM and at pH 7.37				J Med Chem 27: 228-32 (1984) BindingDB Entry DOI: 10.7270/Q2K938QV
					More data for this Ligand-Target Pair