Compile Data Set for Download or QSAR

Found 150 hits with Last Name = 'drummond' and Initial = 'c'   

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))	BDBM477604 ((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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477601 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477599 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477616 ((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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477618 ((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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477586 (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	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
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477600 (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)	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
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477584 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477583 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477622 (Propan-2-yl-3-[(4R)-4-(4,5,6,7-tetrahydro-1,2-benz...) Show SMILES CC(C)OC(=O)c1cccc(c1)-n1ncc2[C@@H](CCCc12)NC(=O)c1noc2CCCCc12 |r| Show InChI InChI=1S/C25H28N4O4/c1-15(2)32-25(31)16-7-5-8-17(13-16)29-21-11-6-10-20(19(21)14-26-29)27-24(30)23-18-9-3-4-12-22(18)33-28-23/h5,7-8,13-15,20H,3-4,6,9-12H2,1-2H3,(H,27,30)/t20-/m1/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477595 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477619 ((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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477598 (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/C21H17FN4O2/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/h1-4,6-7,9,11-12,16H,5,8,10H2,(H,24,27)/t16-/m1/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	18	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477609 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477602 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477606 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477621 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477592 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477579 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay A: DHODH enzyme assays were performed with 6 nM recombinant human DHODH (purified essentially as described by Walse et. al., Biochemistry, 47, ...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477614 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477607 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM350085 (3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isox...) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C Show InChI InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477612 ((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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477617 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50229787 ((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...) Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Mdm2 -p53 protein interaction by ELISA				J Med Chem 54: 1233-43 (2011) Article DOI: 10.1021/jm1011929 BindingDB Entry DOI: 10.7270/Q29K4BHN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477594 (5-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrah...) Show SMILES Cc1ccc(nc1)C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1C |r| Show InChI InChI=1S/C21H22N4O/c1-14-10-11-18(22-12-14)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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477611 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477603 (N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-i...) Show SMILES Fc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C21H17FN4O2/c22-14-6-1-3-9-18(14)26-17-10-5-8-15(13(17)12-23-26)24-20(27)21-25-16-7-2-4-11-19(16)28-21/h1-4,6-7,9,11-12,15H,5,8,10H2,(H,24,27)/t15-/m1/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	88	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477596 (3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrah...) Show SMILES Cc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1ncccc1C |r| Show InChI InChI=1S/C21H22N4O/c1-14-7-3-4-10-18(14)25-19-11-5-9-17(16(19)13-23-25)24-21(26)20-15(2)8-6-12-22-20/h3-4,6-8,10,12-13,17H,5,9,11H2,1-2H3,(H,24,26)/t17-/m1/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	96	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477597 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477620 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477587 (N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-i...) Show SMILES Cc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)C1=CC2C=CC=CC2O1 |r,c:25,27,t:22| Show InChI InChI=1S/C23H23N3O2/c1-15-7-2-4-10-19(15)26-20-11-6-9-18(17(20)14-24-26)25-23(27)22-13-16-8-3-5-12-21(16)28-22/h2-5,7-8,10,12-14,16,18,21H,6,9,11H2,1H3,(H,25,27)/t16?,18-,21?/m1/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	124	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477589 (3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrah...) Show SMILES Cc1ccsc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1C |r| Show InChI InChI=1S/C20H21N3OS/c1-13-6-3-4-8-17(13)23-18-9-5-7-16(15(18)12-21-23)22-20(24)19-14(2)10-11-25-19/h3-4,6,8,10-12,16H,5,7,9H2,1-2H3,(H,22,24)/t16-/m1/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	136	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477574 ((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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay A: DHODH enzyme assays were performed with 6 nM recombinant human DHODH (purified essentially as described by Walse et. al., Biochemistry, 47, ...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50339398 ((+)-R-3-(4-Chlorophenyl)-3-(1-hydroxymethylcyclopr...) Show SMILES OCC1(CO[C@]2(N(Cc3ccc(cc3)[N+]([O-])=O)C(=O)c3ccccc23)c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C26H23ClN2O5/c27-20-9-7-19(8-10-20)26(34-17-25(16-30)13-14-25)23-4-2-1-3-22(23)24(31)28(26)15-18-5-11-21(12-6-18)29(32)33/h1-12,30H,13-17H2/t26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Mdm2 -p53 protein interaction by ELISA				J Med Chem 54: 1233-43 (2011) Article DOI: 10.1021/jm1011929 BindingDB Entry DOI: 10.7270/Q29K4BHN
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477623 (US10889564, Example 53) Show SMILES O=C(N[C@@H]1CCCc2c1cnn2-c1cccc(c1)C(=O)N1CCOCC1)c1noc2CCCCc12 |r| Show InChI InChI=1S/C26H29N5O4/c32-25(24-19-7-1-2-10-23(19)35-29-24)28-21-8-4-9-22-20(21)16-27-31(22)18-6-3-5-17(15-18)26(33)30-11-13-34-14-12-30/h3,5-6,15-16,21H,1-2,4,7-14H2,(H,28,32)/t21-/m1/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	220	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50339369 ((+/-)-3-(4-chlorophenyl)-3-((1-(hydroxymethyl)cycl...) Show SMILES OCC1(COC2(N(Cc3ccc(cc3)[N+]([O-])=O)C(=O)c3ccccc23)c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C26H23ClN2O5/c27-20-9-7-19(8-10-20)26(34-17-25(16-30)13-14-25)23-4-2-1-3-22(23)24(31)28(26)15-18-5-11-21(12-6-18)29(32)33/h1-12,30H,13-17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Mdm2 -p53 protein interaction by ELISA				J Med Chem 54: 1233-43 (2011) Article DOI: 10.1021/jm1011929 BindingDB Entry DOI: 10.7270/Q29K4BHN
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477576 (N-(1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-in...) Show SMILES Fc1ccc(c(F)c1)-n1ncc2C(CCCc12)NC(=O)c1onc2CCCCc12 Show InChI InChI=1S/C21H20F2N4O2/c22-12-8-9-19(15(23)10-12)27-18-7-3-6-16(14(18)11-24-27)25-21(28)20-13-4-1-2-5-17(13)26-29-20/h8-11,16H,1-7H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay A: DHODH enzyme assays were performed with 6 nM recombinant human DHODH (purified essentially as described by Walse et. al., Biochemistry, 47, ...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50339371 ((+/-)-trans-3-(4-Chlorophenyl)-3-(4-hydroxycyclohe...) Show SMILES O[C@H]1CC[C@H](OC2(N(Cc3ccc(cc3)[N+]([O-])=O)C(=O)c3ccccc23)c2ccc(Cl)cc2)C=C1 |r,c:37| Show InChI InChI=1S/C27H23ClN2O5/c28-20-9-7-19(8-10-20)27(35-23-15-13-22(31)14-16-23)25-4-2-1-3-24(25)26(32)29(27)17-18-5-11-21(12-6-18)30(33)34/h1-13,15,22-23,31H,14,16-17H2/t22-,23-,27?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Mdm2 -p53 protein interaction by ELISA				J Med Chem 54: 1233-43 (2011) Article DOI: 10.1021/jm1011929 BindingDB Entry DOI: 10.7270/Q29K4BHN
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477590 (N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-i...) Show SMILES Cc1ccccc1-n1ncc2[C@@H](CCCc12)NC(=O)c1ccccn1 |r| Show InChI InChI=1S/C20H20N4O/c1-14-7-2-3-10-18(14)24-19-11-6-9-16(15(19)13-22-24)23-20(25)17-8-4-5-12-21-17/h2-5,7-8,10,12-13,16H,6,9,11H2,1H3,(H,23,25)/t16-/m1/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	355	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50339355 ((+/-)-3-(4-Chlorophenyl)-3-(4-hydroxybutoxy)-2-(4-...) Show SMILES OCCCCOC1(N(Cc2ccc(cc2)[N+]([O-])=O)C(=O)c2ccccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H23ClN2O5/c26-20-11-9-19(10-12-20)25(33-16-4-3-15-29)23-6-2-1-5-22(23)24(30)27(25)17-18-7-13-21(14-8-18)28(31)32/h1-2,5-14,29H,3-4,15-17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Mdm2 -p53 protein interaction by ELISA				J Med Chem 54: 1233-43 (2011) Article DOI: 10.1021/jm1011929 BindingDB Entry DOI: 10.7270/Q29K4BHN
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50339365 ((+/-)-trans-3-(4-Chlorophenyl)-3-(5-hydroxycyclooc...) Show SMILES O[C@H]1CCC[C@@H](CCC1)OC1(N(Cc2ccc(cc2)[N+]([O-])=O)C(=O)c2ccccc12)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H29ClN2O5/c30-22-15-13-21(14-16-22)29(37-25-7-3-5-24(33)6-4-8-25)27-10-2-1-9-26(27)28(34)31(29)19-20-11-17-23(18-12-20)32(35)36/h1-2,9-18,24-25,33H,3-8,19H2/t24-,25-,29?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Mdm2 -p53 protein interaction by ELISA				J Med Chem 54: 1233-43 (2011) Article DOI: 10.1021/jm1011929 BindingDB Entry DOI: 10.7270/Q29K4BHN
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50339370 ((+/-)-trans-3-(4-Chlorophenyl)-3-(4-hydroxycyclohe...) Show SMILES O[C@H]1CC[C@@H](CC1)OC1(N(Cc2ccc(cc2)[N+]([O-])=O)C(=O)c2ccccc12)c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(-9.71,-36.66,;-8.4,-37.46,;-8.44,-39,;-7.12,-39.8,;-5.79,-39.06,;-5.74,-37.53,;-7.05,-36.73,;-4.48,-39.85,;-4.08,-41.35,;-3.16,-42.6,;-1.62,-42.6,;-.85,-43.93,;-1.62,-45.27,;-.86,-46.6,;.69,-46.6,;1.46,-45.26,;.68,-43.93,;1.47,-47.94,;.7,-49.28,;3.01,-47.94,;-4.08,-43.86,;-3.6,-45.32,;-5.55,-43.38,;-6.88,-44.15,;-8.22,-43.38,;-8.22,-41.83,;-6.89,-41.06,;-5.55,-41.82,;-2.76,-40.55,;-1.41,-41.31,;-.09,-40.52,;-.11,-38.97,;1.21,-38.18,;-1.47,-38.23,;-2.79,-39.02,)| Show InChI InChI=1S/C27H25ClN2O5/c28-20-9-7-19(8-10-20)27(35-23-15-13-22(31)14-16-23)25-4-2-1-3-24(25)26(32)29(27)17-18-5-11-21(12-6-18)30(33)34/h1-12,22-23,31H,13-17H2/t22-,23-,27?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Mdm2 -p53 protein interaction by ELISA				J Med Chem 54: 1233-43 (2011) Article DOI: 10.1021/jm1011929 BindingDB Entry DOI: 10.7270/Q29K4BHN
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50339368 ((+/-)-3-(4-Chlorophenyl)-3-(3-hydroxy-2,2-dimethyl...) Show SMILES CC(C)(CO)COC1(N(Cc2ccc(cc2)[N+]([O-])=O)C(=O)c2ccccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H25ClN2O5/c1-25(2,16-30)17-34-26(19-9-11-20(27)12-10-19)23-6-4-3-5-22(23)24(31)28(26)15-18-7-13-21(14-8-18)29(32)33/h3-14,30H,15-17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Mdm2 -p53 protein interaction by ELISA				J Med Chem 54: 1233-43 (2011) Article DOI: 10.1021/jm1011929 BindingDB Entry DOI: 10.7270/Q29K4BHN
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50339353 ((+/-)-(Z)-3-(4-Chlorophenyl)-3-(4-hydroxybut-2-eny...) Show SMILES OC\C=C/COC1(N(Cc2ccc(cc2)[N+]([O-])=O)C(=O)c2ccccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H21ClN2O5/c26-20-11-9-19(10-12-20)25(33-16-4-3-15-29)23-6-2-1-5-22(23)24(30)27(25)17-18-7-13-21(14-8-18)28(31)32/h1-14,29H,15-17H2/b4-3-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Mdm2 -p53 protein interaction by ELISA				J Med Chem 54: 1233-43 (2011) Article DOI: 10.1021/jm1011929 BindingDB Entry DOI: 10.7270/Q29K4BHN
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50339437 ((+/-)-3-(4-chlorophenyl)-3-((cis)-3-hydroxycyclope...) Show SMILES O[C@@H]1CC[C@@H](C1)OC1(N(Cc2ccc(cc2)[N+]([O-])=O)C(=O)c2ccccc12)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H23ClN2O5/c27-19-9-7-18(8-10-19)26(34-22-14-13-21(30)15-22)24-4-2-1-3-23(24)25(31)28(26)16-17-5-11-20(12-6-17)29(32)33/h1-12,21-22,30H,13-16H2/t21-,22+,26?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Mdm2 -p53 protein interaction by ELISA				J Med Chem 54: 1233-43 (2011) Article DOI: 10.1021/jm1011929 BindingDB Entry DOI: 10.7270/Q29K4BHN
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477613 (4-methyl-N-(1-phenyl-4,5,6,7-tetrahydro-1H-indazol...) Show SMILES Cc1ccnc(c1)C(=O)NC1CCCc2c1cnn2-c1ccccc1 Show InChI InChI=1S/C20H20N4O/c1-14-10-11-21-18(12-14)20(25)23-17-8-5-9-19-16(17)13-22-24(19)15-6-3-2-4-7-15/h2-4,6-7,10-13,17H,5,8-9H2,1H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	441	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50339354 ((+/-)-3-(4-Chlorophenyl)-3-(3-hydroxypropoxy)-2-(4...) Show SMILES OCCCOC1(N(Cc2ccc(cc2)[N+]([O-])=O)C(=O)c2ccccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H21ClN2O5/c25-19-10-8-18(9-11-19)24(32-15-3-14-28)22-5-2-1-4-21(22)23(29)26(24)16-17-6-12-20(13-7-17)27(30)31/h1-2,4-13,28H,3,14-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Mdm2 -p53 protein interaction by ELISA				J Med Chem 54: 1233-43 (2011) Article DOI: 10.1021/jm1011929 BindingDB Entry DOI: 10.7270/Q29K4BHN
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM477588 (3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrah...) Show SMILES CC1=C(OC2C=CC=CC12)C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1C |r,c:5,7,t:1| Show InChI InChI=1S/C24H25N3O2/c1-15-8-3-5-11-20(15)27-21-12-7-10-19(18(21)14-25-27)26-24(28)23-16(2)17-9-4-6-13-22(17)29-23/h3-6,8-9,11,13-14,17,19,22H,7,10,12H2,1-2H3,(H,26,28)/t17?,19-,22?/m1/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	459	n/a	n/a	n/a	n/a	n/a	n/a
Genase Therapeutics B.V. US Patent					Assay Description Assay B: Example compounds as described herein were dispensed with an acoustic liquid handler, Echo 550 (Labcyte) to a maximum volume of 50 nl per we...				US Patent US10889564 (2021) BindingDB Entry DOI: 10.7270/Q2N019MP
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50339361 ((+/-)-3-(4-Bromophenyl)-3-(4-hydroxybutoxy)-2-(4-n...) Show SMILES OCCCCOC1(N(Cc2ccc(cc2)[N+]([O-])=O)C(=O)c2ccccc12)c1ccc(Br)cc1 Show InChI InChI=1S/C25H23BrN2O5/c26-20-11-9-19(10-12-20)25(33-16-4-3-15-29)23-6-2-1-5-22(23)24(30)27(25)17-18-7-13-21(14-8-18)28(31)32/h1-2,5-14,29H,3-4,15-17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Mdm2 -p53 protein interaction by ELISA				J Med Chem 54: 1233-43 (2011) Article DOI: 10.1021/jm1011929 BindingDB Entry DOI: 10.7270/Q29K4BHN
					More data for this Ligand-Target Pair

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