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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50010583   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477604
PNG
((R)—N-(1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-in...)
Show SMILES Cc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1noc2CCCCc12 |r|
Show InChI InChI=1S/C22H24N4O2/c1-14-7-2-4-10-18(14)26-19-11-6-9-17(16(19)13-23-26)24-22(27)21-15-8-3-5-12-20(15)28-25-21/h2,4,7,10,13,17H,3,5-6,8-9,11-12H2,1H3,(H,24,27)/t17-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate in presence of 2 nM of DHODH by DCIP assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477604
PNG
((R)—N-(1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-in...)
Show SMILES Cc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1noc2CCCCc12 |r|
Show InChI InChI=1S/C22H24N4O2/c1-14-7-2-4-10-18(14)26-19-11-6-9-17(16(19)13-23-26)24-22(27)21-15-8-3-5-12-20(15)28-25-21/h2,4,7,10,13,17H,3,5-6,8-9,11-12H2,1H3,(H,24,27)/t17-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477616
PNG
((R)—N-(1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-in...)
Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1ncn2CCCCc12 |r|
Show InChI InChI=1S/C21H22FN5O/c22-15-6-1-2-8-18(15)27-17-10-5-7-16(14(17)12-24-27)25-21(28)20-19-9-3-4-11-26(19)13-23-20/h1-2,6,8,12-13,16H,3-5,7,9-11H2,(H,25,28)/t16-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate in presence of 2 nM of DHODH by DCIP assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477601
PNG
(N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1H-in...)
Show SMILES Cc1cccc(c1C)-n1ncc2C(CCCc12)NC(=O)c1noc2CCCCc12
Show InChI InChI=1S/C23H26N4O2/c1-14-7-5-10-19(15(14)2)27-20-11-6-9-18(17(20)13-24-27)25-23(28)22-16-8-3-4-12-21(16)29-26-22/h5,7,10,13,18H,3-4,6,8-9,11-12H2,1-2H3,(H,25,28)
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n/an/a 2.70n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate in presence of 2 nM of DHODH by DCIP assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477601
PNG
(N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1H-in...)
Show SMILES Cc1cccc(c1C)-n1ncc2C(CCCc12)NC(=O)c1noc2CCCCc12
Show InChI InChI=1S/C23H26N4O2/c1-14-7-5-10-19(15(14)2)27-20-11-6-9-18(17(20)13-24-27)25-23(28)22-16-8-3-4-12-21(16)29-26-22/h5,7,10,13,18H,3-4,6,8-9,11-12H2,1-2H3,(H,25,28)
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n/an/a 2.70n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477599
PNG
(N-[1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazo...)
Show SMILES Cc1ccccc1-n1ncc2C(CCCc12)NC(=O)c1noc2CCCCc12
Show InChI InChI=1S/C22H24N4O2/c1-14-7-2-4-10-18(14)26-19-11-6-9-17(16(19)13-23-26)24-22(27)21-15-8-3-5-12-20(15)28-25-21/h2,4,7,10,13,17H,3,5-6,8-9,11-12H2,1H3,(H,24,27)
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n/an/a 3.5n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate in presence of 2 nM of DHODH by DCIP assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477599
PNG
(N-[1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazo...)
Show SMILES Cc1ccccc1-n1ncc2C(CCCc12)NC(=O)c1noc2CCCCc12
Show InChI InChI=1S/C22H24N4O2/c1-14-7-2-4-10-18(14)26-19-11-6-9-17(16(19)13-23-26)24-22(27)21-15-8-3-5-12-20(15)28-25-21/h2,4,7,10,13,17H,3,5-6,8-9,11-12H2,1H3,(H,24,27)
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n/an/a 3.80n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477616
PNG
((R)—N-(1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-in...)
Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1ncn2CCCCc12 |r|
Show InChI InChI=1S/C21H22FN5O/c22-15-6-1-2-8-18(15)27-17-10-5-7-16(14(17)12-24-27)25-21(28)20-19-9-3-4-11-26(19)13-23-20/h1-2,6,8,12-13,16H,3-5,7,9-11H2,(H,25,28)/t16-/m1/s1
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n/an/a<5n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477618
PNG
((R)—N-(1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-in...)
Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1ncc2ccccn12 |r|
Show InChI InChI=1S/C21H18FN5O/c22-16-7-1-2-9-19(16)27-18-10-5-8-17(15(18)13-24-27)25-21(28)20-23-12-14-6-3-4-11-26(14)20/h1-4,6-7,9,11-13,17H,5,8,10H2,(H,25,28)/t17-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477586
PNG
(N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-i...)
Show SMILES Cc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1onc2CCCCc12 |r|
Show InChI InChI=1S/C22H24N4O2/c1-14-7-2-5-11-19(14)26-20-12-6-10-17(16(20)13-23-26)24-22(27)21-15-8-3-4-9-18(15)25-28-21/h2,5,7,11,13,17H,3-4,6,8-10,12H2,1H3,(H,24,27)/t17-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477583
PNG
(N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-i...)
Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1noc2CCCCc12 |r|
Show InChI InChI=1S/C21H21FN4O2/c22-15-7-2-3-9-18(15)26-17-10-5-8-16(14(17)12-23-26)24-21(27)20-13-6-1-4-11-19(13)28-25-20/h2-3,7,9,12,16H,1,4-6,8,10-11H2,(H,24,27)/t16-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477584
PNG
(N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-i...)
Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1onc2CCCCc12 |r|
Show InChI InChI=1S/C21H21FN4O2/c22-15-7-2-4-10-19(15)26-18-11-5-9-16(14(18)12-23-26)24-21(27)20-13-6-1-3-8-17(13)25-28-20/h2,4,7,10,12,16H,1,3,5-6,8-9,11H2,(H,24,27)/t16-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged DHODH (31 to 395 residues) expressed in Escherichia coli expression system using dihydroorotic ...

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477619
PNG
((R)—N-(1-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahy...)
Show SMILES Cc1ccc(F)c(c1)-n1ncc2[C@@H](CCCc12)NC(=O)c1onc2CCCCc12 |r|
Show InChI InChI=1S/C22H23FN4O2/c1-13-9-10-16(23)20(11-13)27-19-8-4-7-17(15(19)12-24-27)25-22(28)21-14-5-2-3-6-18(14)26-29-21/h9-12,17H,2-8H2,1H3,(H,25,28)/t17-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477600
PNG
(N-[1-(3-methylphenyl)-4,5,6,7-tetrahydro-1H-indazo...)
Show SMILES Cc1cccc(c1)-n1ncc2C(CCCc12)NC(=O)c1noc2CCCCc12
Show InChI InChI=1S/C22H24N4O2/c1-14-6-4-7-15(12-14)26-19-10-5-9-18(17(19)13-23-26)24-22(27)21-16-8-2-3-11-20(16)28-25-21/h4,6-7,12-13,18H,2-3,5,8-11H2,1H3,(H,24,27)
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n/an/a 12n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477609
PNG
(N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-i...)
Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1cc(ccn1)C(F)(F)F |r|
Show InChI InChI=1S/C20H16F4N4O/c21-14-4-1-2-6-18(14)28-17-7-3-5-15(13(17)11-26-28)27-19(29)16-10-12(8-9-25-16)20(22,23)24/h1-2,4,6,8-11,15H,3,5,7H2,(H,27,29)/t15-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477595
PNG
(4-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrah...)
Show SMILES Cc1ccnc(c1)C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1C |r|
Show InChI InChI=1S/C21H22N4O/c1-14-10-11-22-18(12-14)21(26)24-17-7-5-9-20-16(17)13-23-25(20)19-8-4-3-6-15(19)2/h3-4,6,8,10-13,17H,5,7,9H2,1-2H3,(H,24,26)/t17-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477592
PNG
(N-(1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)-4,...)
Show SMILES O=C(NC1CCCc2c1cnn2-c1ccccc1)c1noc2CCCCc12
Show InChI InChI=1S/C21H22N4O2/c26-21(20-15-9-4-5-12-19(15)27-24-20)23-17-10-6-11-18-16(17)13-22-25(18)14-7-2-1-3-8-14/h1-3,7-8,13,17H,4-6,9-12H2,(H,23,26)
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n/an/a 19n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477614
PNG
(N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-i...)
Show SMILES Cc1cnc(cc1C)C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1F |r|
Show InChI InChI=1S/C21H21FN4O/c1-13-10-18(23-11-14(13)2)21(27)25-17-7-5-9-19-15(17)12-24-26(19)20-8-4-3-6-16(20)22/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3,(H,25,27)/t17-/m1/s1
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Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477621
PNG
(N-[(4R)-1-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrah...)
Show SMILES Cc1ccnc(c1)C(=O)N[C@@H]1CCCc2c1cnn2-c1cc(C)ccc1F |r|
Show InChI InChI=1S/C21H21FN4O/c1-13-6-7-16(22)20(11-13)26-19-5-3-4-17(15(19)12-24-26)25-21(27)18-10-14(2)8-9-23-18/h6-12,17H,3-5H2,1-2H3,(H,25,27)/t17-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477606
PNG
(4-chloro-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrah...)
Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1cc(Cl)ccn1 |r|
Show InChI InChI=1S/C19H16ClFN4O/c20-12-8-9-22-16(10-12)19(26)24-15-5-3-7-17-13(15)11-23-25(17)18-6-2-1-4-14(18)21/h1-2,4,6,8-11,15H,3,5,7H2,(H,24,26)/t15-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477607
PNG
(4-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahy...)
Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1cc(Br)ccn1 |r|
Show InChI InChI=1S/C19H16BrFN4O/c20-12-8-9-22-16(10-12)19(26)24-15-5-3-7-17-13(15)11-23-25(17)18-6-2-1-4-14(18)21/h1-2,4,6,8-11,15H,3,5,7H2,(H,24,26)/t15-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477602
PNG
(Ethyl 3-[4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-a...)
Show SMILES CCOC(=O)c1cccc(c1)-n1ncc2C(CCCc12)NC(=O)c1noc2CCCCc12
Show InChI InChI=1S/C24H26N4O4/c1-2-31-24(30)15-7-5-8-16(13-15)28-20-11-6-10-19(18(20)14-25-28)26-23(29)22-17-9-3-4-12-21(17)32-27-22/h5,7-8,13-14,19H,2-4,6,9-12H2,1H3,(H,26,29)
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n/an/a 30n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477617
PNG
(4-fluoro-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrah...)
Show SMILES Fc1ccnc(c1)C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1F |r|
Show InChI InChI=1S/C19H16F2N4O/c20-12-8-9-22-16(10-12)19(26)24-15-5-3-7-17-13(15)11-23-25(17)18-6-2-1-4-14(18)21/h1-2,4,6,8-11,15H,3,5,7H2,(H,24,26)/t15-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477579
PNG
(N-(1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazo...)
Show SMILES Fc1ccccc1-n1ncc2C(CCCc12)NC(=O)c1onc2CCCCc12
Show InChI InChI=1S/C21H21FN4O2/c22-15-7-2-4-10-19(15)26-18-11-5-9-16(14(18)12-23-26)24-21(27)20-13-6-1-3-8-17(13)25-28-20/h2,4,7,10,12,16H,1,3,5-6,8-9,11H2,(H,24,27)
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n/an/a 32n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged DHODH (31 to 395 residues) expressed in Escherichia coli expression system using dihydroorotic ...

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477612
PNG
((R)—N-(1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-in...)
Show SMILES Cc1ccnc(c1)C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1F |r|
Show InChI InChI=1S/C20H19FN4O/c1-13-9-10-22-17(11-13)20(26)24-16-6-4-8-18-14(16)12-23-25(18)19-7-3-2-5-15(19)21/h2-3,5,7,9-12,16H,4,6,8H2,1H3,(H,24,26)/t16-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477620
PNG
(N-[(4R)-1-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrah...)
Show SMILES Cc1ccc(F)c(c1)-n1ncc2[C@@H](CCCc12)NC(=O)c1cc(ccn1)C(F)(F)F |r|
Show InChI InChI=1S/C21H18F4N4O/c1-12-5-6-15(22)19(9-12)29-18-4-2-3-16(14(18)11-27-29)28-20(30)17-10-13(7-8-26-17)21(23,24)25/h5-11,16H,2-4H2,1H3,(H,28,30)/t16-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477611
PNG
(N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-i...)
Show SMILES Cc1ccc(nc1)C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1F |r|
Show InChI InChI=1S/C20H19FN4O/c1-13-9-10-17(22-11-13)20(26)24-16-6-4-8-18-14(16)12-23-25(18)19-7-3-2-5-15(19)21/h2-3,5,7,9-12,16H,4,6,8H2,1H3,(H,24,26)/t16-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477597
PNG
(N-(1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)-4,...)
Show SMILES O=C(NC1CCCc2c1cnn2-c1ccccc1)c1onc2CCCCc12
Show InChI InChI=1S/C21H22N4O2/c26-21(20-15-9-4-5-10-18(15)24-27-20)23-17-11-6-12-19-16(17)13-22-25(19)14-7-2-1-3-8-14/h1-3,7-8,13,17H,4-6,9-12H2,(H,23,26)
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n/an/a 95n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477574
PNG
((R)—N-(1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-in...)
Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1ccccn1 |r|
Show InChI InChI=1S/C19H17FN4O/c20-14-6-1-2-9-18(14)24-17-10-5-8-15(13(17)12-22-24)23-19(25)16-7-3-4-11-21-16/h1-4,6-7,9,11-12,15H,5,8,10H2,(H,23,25)/t15-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477572
PNG
(N-(1-(2-Fluorophenyl)-4,5,6,7-tetrahydro-1H-indazo...)
Show SMILES Fc1ccccc1-n1ncc2C(CCCc12)NC(=O)c1ccccn1
Show InChI InChI=1S/C19H17FN4O/c20-14-6-1-2-9-18(14)24-17-10-5-8-15(13(17)12-22-24)23-19(25)16-7-3-4-11-21-16/h1-4,6-7,9,11-12,15H,5,8,10H2,(H,23,25)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged DHODH (31 to 395 residues) expressed in Escherichia coli expression system using dihydroorotic ...

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM50540324
PNG
(CHEMBL4644245)
Show SMILES Fc1ccccc1-n1ncc2[C@H](CCCc12)NC(=O)c1noc2CCCCc12 |r|
Show InChI InChI=1S/C21H21FN4O2/c22-15-7-2-3-9-18(15)26-17-10-5-8-16(14(17)12-23-26)24-21(27)20-13-6-1-4-11-19(13)28-25-20/h2-3,7,9,12,16H,1,4-6,8,10-11H2,(H,24,27)/t16-/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM50540322
PNG
(CHEMBL4639767)
Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1ncccn1 |r|
Show InChI InChI=1S/C18H16FN5O/c19-13-5-1-2-7-16(13)24-15-8-3-6-14(12(15)11-22-24)23-18(25)17-20-9-4-10-21-17/h1-2,4-5,7,9-11,14H,3,6,8H2,(H,23,25)/t14-/m1/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477573
PNG
((S)—N-(1-(2-Fluorophenyl)-4,5,6,7-tetrahydro-1H-in...)
Show SMILES Fc1ccccc1-n1ncc2[C@H](CCCc12)NC(=O)c1ccccn1 |r|
Show InChI InChI=1S/C19H17FN4O/c20-14-6-1-2-9-18(14)24-17-10-5-8-15(13(17)12-22-24)23-19(25)16-7-3-4-11-21-16/h1-4,6-7,9,11-12,15H,5,8,10H2,(H,23,25)/t15-/m0/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM50540326
PNG
(CHEMBL4639419)
Show SMILES Fc1ccccc1-n1ncc2[C@H](CCCc12)NC(=O)c1onc2CCCCc12 |r|
Show InChI InChI=1S/C21H21FN4O2/c22-15-7-2-4-10-19(15)26-18-11-5-9-16(14(18)12-23-26)24-21(27)20-13-6-1-3-8-17(13)25-28-20/h2,4,7,10,12,16H,1,3,5-6,8-9,11H2,(H,24,27)/t16-/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged DHODH (31 to 395 residues) expressed in Escherichia coli expression system using dihydroorotic ...

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM50540325
PNG
(CHEMBL4633148)
Show SMILES OC(=O)c1cccc(c1)-n1ncc2[C@@H](CCCc12)NC(=O)c1noc2CCCCc12 |r|
Show InChI InChI=1S/C22H22N4O4/c27-21(20-15-7-1-2-10-19(15)30-25-20)24-17-8-4-9-18-16(17)12-23-26(18)14-6-3-5-13(11-14)22(28)29/h3,5-6,11-12,17H,1-2,4,7-10H2,(H,24,27)(H,28,29)/t17-/m1/s1
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n/an/a 7.30E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM50540323
PNG
(CHEMBL4648021)
Show SMILES Fc1ccccc1-n1ncc2C(CCCc12)NC(=O)c1ccccc1
Show InChI InChI=1S/C20H18FN3O/c21-16-9-4-5-11-19(16)24-18-12-6-10-17(15(18)13-22-24)23-20(25)14-7-2-1-3-8-14/h1-5,7-9,11,13,17H,6,10,12H2,(H,23,25)
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n/an/a 7.60E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM477578
PNG
(Methyl 6-({[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-...)
Show SMILES COC(=O)c1ccc(nc1)C(=O)NC1CCCc2c1cnn2-c1ccccc1F
Show InChI InChI=1S/C21H19FN4O3/c1-29-21(28)13-9-10-17(23-11-13)20(27)25-16-6-4-8-18-14(16)12-24-26(18)19-7-3-2-5-15(19)22/h2-3,5,7,9-12,16H,4,6,8H2,1H3,(H,25,27)
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UniChem
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n/an/a>1.00E+4n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH using dihydroorotic acid as substrate measured for 68 mins by DCIP based colorimetric assay

J Med Chem 63: 3915-3934 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01658
BindingDB Entry DOI: 10.7270/Q2HQ43F3
More data for this
Ligand-Target Pair