Compile Data Set for Download or QSAR

Found 117 hits with Last Name = 'kavana' and Initial = 'm'   

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
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50059889 ((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...) Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged LRRK2 after 1 hr by TR-FRET assay				Bioorg Med Chem Lett 23: 3690-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.086 BindingDB Entry DOI: 10.7270/Q27P90SD
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50436423 (CHEMBL2397014) Show SMILES COc1cc(ccc1Nc1ncc(F)c(Nc2ccccc2NS(C)(=O)=O)n1)N1CCOCC1 Show InChI InChI=1S/C22H25FN6O4S/c1-32-20-13-15(29-9-11-33-12-10-29)7-8-19(20)26-22-24-14-16(23)21(27-22)25-17-5-3-4-6-18(17)28-34(2,30)31/h3-8,13-14,28H,9-12H2,1-2H3,(H2,24,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human recombinant wild type LRRK2 using biotin-LRRKtide as substrate preincubated for 15 mins prior to substrate addition measured afte...				Bioorg Med Chem Lett 23: 3690-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.086 BindingDB Entry DOI: 10.7270/Q27P90SD
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM482157 (BDBM50379529 | LRRK2-IN-1 | US11370796, Compound L...) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM482157 (BDBM50379529 | LRRK2-IN-1 | US11370796, Compound L...) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged LRRK2 ((1326 to 2517 amino acids) (unknown origin)				Bioorg Med Chem Lett 23: 3690-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.086 BindingDB Entry DOI: 10.7270/Q27P90SD
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM482157 (BDBM50379529 | LRRK2-IN-1 | US11370796, Compound L...) Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of wild-type GST-tagged LRRK2 (1326 to 2527 aa)(unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by ...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM4814 (CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged LRRK2 after 1 hr by TR-FRET assay				Bioorg Med Chem Lett 23: 3690-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.086 BindingDB Entry DOI: 10.7270/Q27P90SD
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50132420 (3-((1H-pyrrol-2-yl)methylene)-5-(pyridin-3-yl)indo...) Show SMILES O=C1Nc2ccc(cc2\C1=C\c1ccc[nH]1)-c1cccnc1 Show InChI InChI=1S/C18H13N3O/c22-18-16(10-14-4-2-8-20-14)15-9-12(5-6-17(15)21-18)13-3-1-7-19-11-13/h1-11,20H,(H,21,22)/b16-10-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged LRRK2 after 1 hr by TR-FRET assay				Bioorg Med Chem Lett 23: 3690-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.086 BindingDB Entry DOI: 10.7270/Q27P90SD
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50073840 (CHEMBL3409459) Show SMILES CN1Cc2ccccc2N(C)c2nc(Nc3ccc(cc3Cl)C(=O)N3CCC(CC3)N3CCCCC3)ncc12 Show InChI InChI=1S/C30H36ClN7O/c1-35-20-22-8-4-5-9-26(22)36(2)28-27(35)19-32-30(34-28)33-25-11-10-21(18-24(25)31)29(39)38-16-12-23(13-17-38)37-14-6-3-7-15-37/h4-5,8-11,18-19,23H,3,6-7,12-17,20H2,1-2H3,(H,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50073813 (CHEMBL3409458) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(cc3Cl)C(=O)N3CCC(CC3)N3CCCCC3)nc12 Show InChI InChI=1S/C30H34ClN7O2/c1-35-25-9-5-4-8-22(25)29(40)36(2)26-19-32-30(34-27(26)35)33-24-11-10-20(18-23(24)31)28(39)38-16-12-21(13-17-38)37-14-6-3-7-15-37/h4-5,8-11,18-19,21H,3,6-7,12-17H2,1-2H3,(H,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM14028 ((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...) Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	244	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged LRRK2 after 1 hr by TR-FRET assay				Bioorg Med Chem Lett 23: 3690-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.086 BindingDB Entry DOI: 10.7270/Q27P90SD
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50073919 (CHEMBL3409462) Show SMILES Nc1ccc(cc1Cl)C(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C17H24ClN3O/c18-15-12-13(4-5-16(15)19)17(22)21-10-6-14(7-11-21)20-8-2-1-3-9-20/h4-5,12,14H,1-3,6-11,19H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	654	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50073926 (CHEMBL3409468) Show SMILES COc1ccccc1Nc1ccc(cc1Cl)C(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C24H30ClN3O2/c1-30-23-8-4-3-7-22(23)26-21-10-9-18(17-20(21)25)24(29)28-15-11-19(12-16-28)27-13-5-2-6-14-27/h3-4,7-10,17,19,26H,2,5-6,11-16H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50073927 (CHEMBL3409469) Show SMILES [O-][N+](=O)c1ccccc1Nc1ccc(cc1Cl)C(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C23H27ClN4O3/c24-19-16-17(8-9-20(19)25-21-6-2-3-7-22(21)28(30)31)23(29)27-14-10-18(11-15-27)26-12-4-1-5-13-26/h2-3,6-9,16,18,25H,1,4-5,10-15H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50073928 (CHEMBL3409470) Show SMILES COc1cccc(Nc2ccc(cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)c1 Show InChI InChI=1S/C24H30ClN3O2/c1-30-21-7-5-6-19(17-21)26-23-9-8-18(16-22(23)25)24(29)28-14-10-20(11-15-28)27-12-3-2-4-13-27/h5-9,16-17,20,26H,2-4,10-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50073929 (CHEMBL3409471) Show SMILES [O-][N+](=O)c1ccc(Nc2ccc(cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)cc1 Show InChI InChI=1S/C23H27ClN4O3/c24-21-16-17(4-9-22(21)25-18-5-7-20(8-6-18)28(30)31)23(29)27-14-10-19(11-15-27)26-12-2-1-3-13-26/h4-9,16,19,25H,1-3,10-15H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50073931 (CHEMBL3409472) Show SMILES Cc1ccc(Nc2ccc(cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)cc1 Show InChI InChI=1S/C24H30ClN3O/c1-18-5-8-20(9-6-18)26-23-10-7-19(17-22(23)25)24(29)28-15-11-21(12-16-28)27-13-3-2-4-14-27/h5-10,17,21,26H,2-4,11-16H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50073932 (CHEMBL3409473) Show SMILES CC(=O)Nc1ccc(Nc2ccc(cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)cc1 Show InChI InChI=1S/C25H31ClN4O2/c1-18(31)27-20-6-8-21(9-7-20)28-24-10-5-19(17-23(24)26)25(32)30-15-11-22(12-16-30)29-13-3-2-4-14-29/h5-10,17,22,28H,2-4,11-16H2,1H3,(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50073933 (CHEMBL3409474) Show SMILES Clc1cc(ccc1NCc1ccccc1)C(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C24H30ClN3O/c25-22-17-20(9-10-23(22)26-18-19-7-3-1-4-8-19)24(29)28-15-11-21(12-16-28)27-13-5-2-6-14-27/h1,3-4,7-10,17,21,26H,2,5-6,11-16,18H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50073934 (CHEMBL3409475) Show SMILES COc1cccc(CNc2ccc(cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)c1 Show InChI InChI=1S/C25H32ClN3O2/c1-31-22-7-5-6-19(16-22)18-27-24-9-8-20(17-23(24)26)25(30)29-14-10-21(11-15-29)28-12-3-2-4-13-28/h5-9,16-17,21,27H,2-4,10-15,18H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50073935 (CHEMBL3409476) Show SMILES [O-][N+](=O)c1ccc(CNc2ccc(cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)cc1 Show InChI InChI=1S/C24H29ClN4O3/c25-22-16-19(6-9-23(22)26-17-18-4-7-21(8-5-18)29(31)32)24(30)28-14-10-20(11-15-28)27-12-2-1-3-13-27/h4-9,16,20,26H,1-3,10-15,17H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50073936 (CHEMBL3409477) Show SMILES Cc1ccc(CNc2ccc(cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)cc1 Show InChI InChI=1S/C25H32ClN3O/c1-19-5-7-20(8-6-19)18-27-24-10-9-21(17-23(24)26)25(30)29-15-11-22(12-16-29)28-13-3-2-4-14-28/h5-10,17,22,27H,2-4,11-16,18H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50073937 (CHEMBL3409478) Show SMILES CCCNc1ccc(cc1Cl)C(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C20H30ClN3O/c1-2-10-22-19-7-6-16(15-18(19)21)20(25)24-13-8-17(9-14-24)23-11-4-3-5-12-23/h6-7,15,17,22H,2-5,8-14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50073938 (CHEMBL3409479) Show SMILES Clc1cc(ccc1NC1CCCCC1)C(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C23H34ClN3O/c24-21-17-18(9-10-22(21)25-19-7-3-1-4-8-19)23(28)27-15-11-20(12-16-27)26-13-5-2-6-14-26/h9-10,17,19-20,25H,1-8,11-16H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50073939 (CHEMBL3409480) Show SMILES Cn1cccc1CNc1ccc(cc1Cl)C(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C23H31ClN4O/c1-26-11-5-6-20(26)17-25-22-8-7-18(16-21(22)24)23(29)28-14-9-19(10-15-28)27-12-3-2-4-13-27/h5-8,11,16,19,25H,2-4,9-10,12-15,17H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50073940 (CHEMBL3409481) Show SMILES Clc1cc(ccc1NC(=O)c1ccc[nH]1)C(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C22H27ClN4O2/c23-18-15-16(6-7-19(18)25-21(28)20-5-4-10-24-20)22(29)27-13-8-17(9-14-27)26-11-2-1-3-12-26/h4-7,10,15,17,24H,1-3,8-9,11-14H2,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50073921 (CHEMBL3409464) Show SMILES Clc1cc(ccc1Nc1cncnc1)C(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C21H26ClN5O/c22-19-12-16(4-5-20(19)25-17-13-23-15-24-14-17)21(28)27-10-6-18(7-11-27)26-8-2-1-3-9-26/h4-5,12-15,18,25H,1-3,6-11H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50073923 (CHEMBL3409465) Show SMILES Clc1cc(ccc1Nc1ccccn1)C(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C22H27ClN4O/c23-19-16-17(7-8-20(19)25-21-6-2-3-11-24-21)22(28)27-14-9-18(10-15-27)26-12-4-1-5-13-26/h2-3,6-8,11,16,18H,1,4-5,9-10,12-15H2,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50073924 (CHEMBL3409466) Show SMILES Clc1cc(ccc1Nc1cccnc1)C(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C22H27ClN4O/c23-20-15-17(6-7-21(20)25-18-5-4-10-24-16-18)22(28)27-13-8-19(9-14-27)26-11-2-1-3-12-26/h4-7,10,15-16,19,25H,1-3,8-9,11-14H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50073925 (CHEMBL3409467) Show SMILES Clc1cc(ccc1Nc1ccccc1)C(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C23H28ClN3O/c24-21-17-18(9-10-22(21)25-19-7-3-1-4-8-19)23(28)27-15-11-20(12-16-27)26-13-5-2-6-14-26/h1,3-4,7-10,17,20,25H,2,5-6,11-16H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50073879 (CHEMBL3409460) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Cl)nc12 Show InChI InChI=1S/C13H11ClN4O/c1-17-9-6-4-3-5-8(9)12(19)18(2)10-7-15-13(14)16-11(10)17/h3-7H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50073907 (CHEMBL3409461) Show SMILES CN1Cc2ccccc2N(C)c2nc(Cl)ncc12 Show InChI InChI=1S/C13H13ClN4/c1-17-8-9-5-3-4-6-10(9)18(2)12-11(17)7-15-13(14)16-12/h3-7H,8H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50073920 (CHEMBL3409463) Show SMILES Clc1cc(ccc1Nc1ncccn1)C(=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C21H26ClN5O/c22-18-15-16(5-6-19(18)25-21-23-9-4-10-24-21)20(28)27-13-7-17(8-14-27)26-11-2-1-3-12-26/h4-6,9-10,15,17H,1-3,7-8,11-14H2,(H,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50169700 (CHEMBL3806115) Show SMILES Nc1[nH]nc(c1-c1cccc(c1)-c1cccc(N)c1)-c1ccc(O)cc1 Show InChI InChI=1S/C21H18N4O/c22-17-6-2-4-15(12-17)14-3-1-5-16(11-14)19-20(24-25-21(19)23)13-7-9-18(26)10-8-13/h1-12,26H,22H2,(H3,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis				J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50169700 (CHEMBL3806115) Show SMILES Nc1[nH]nc(c1-c1cccc(c1)-c1cccc(N)c1)-c1ccc(O)cc1 Show InChI InChI=1S/C21H18N4O/c22-17-6-2-4-15(12-17)14-3-1-5-16(11-14)19-20(24-25-21(19)23)13-7-9-18(26)10-8-13/h1-12,26H,22H2,(H3,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis				J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50169702 (CHEMBL3805279) Show SMILES Oc1ccc(CNc2[nH]nc(c2-c2ccc(O)cc2)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C22H19N3O3/c26-17-7-1-14(2-8-17)13-23-22-20(15-3-9-18(27)10-4-15)21(24-25-22)16-5-11-19(28)12-6-16/h1-12,26-28H,13H2,(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis				J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50169702 (CHEMBL3805279) Show SMILES Oc1ccc(CNc2[nH]nc(c2-c2ccc(O)cc2)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C22H19N3O3/c26-17-7-1-14(2-8-17)13-23-22-20(15-3-9-18(27)10-4-15)21(24-25-22)16-5-11-19(28)12-6-16/h1-12,26-28H,13H2,(H2,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis				J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50169698 (CHEMBL3806191) Show SMILES Nc1[nH]ncc1-c1cccc(c1)-c1cccc(N)c1 Show InChI InChI=1S/C15H14N4/c16-13-6-2-4-11(8-13)10-3-1-5-12(7-10)14-9-18-19-15(14)17/h1-9H,16H2,(H3,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis				J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50169702 (CHEMBL3805279) Show SMILES Oc1ccc(CNc2[nH]nc(c2-c2ccc(O)cc2)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C22H19N3O3/c26-17-7-1-14(2-8-17)13-23-22-20(15-3-9-18(27)10-4-15)21(24-25-22)16-5-11-19(28)12-6-16/h1-12,26-28H,13H2,(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate by LC-MS/MS analysis				J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50169698 (CHEMBL3806191) Show SMILES Nc1[nH]ncc1-c1cccc(c1)-c1cccc(N)c1 Show InChI InChI=1S/C15H14N4/c16-13-6-2-4-11(8-13)10-3-1-5-12(7-10)14-9-18-19-15(14)17/h1-9H,16H2,(H3,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis				J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50169700 (CHEMBL3806115) Show SMILES Nc1[nH]nc(c1-c1cccc(c1)-c1cccc(N)c1)-c1ccc(O)cc1 Show InChI InChI=1S/C21H18N4O/c22-17-6-2-4-15(12-17)14-3-1-5-16(11-14)19-20(24-25-21(19)23)13-7-9-18(26)10-8-13/h1-12,26H,22H2,(H3,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate by LC-MS/MS analysis				J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50169702 (CHEMBL3805279) Show SMILES Oc1ccc(CNc2[nH]nc(c2-c2ccc(O)cc2)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C22H19N3O3/c26-17-7-1-14(2-8-17)13-23-22-20(15-3-9-18(27)10-4-15)21(24-25-22)16-5-11-19(28)12-6-16/h1-12,26-28H,13H2,(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate by LC-MS/MS analysis				J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50169700 (CHEMBL3806115) Show SMILES Nc1[nH]nc(c1-c1cccc(c1)-c1cccc(N)c1)-c1ccc(O)cc1 Show InChI InChI=1S/C21H18N4O/c22-17-6-2-4-15(12-17)14-3-1-5-16(11-14)19-20(24-25-21(19)23)13-7-9-18(26)10-8-13/h1-12,26H,22H2,(H3,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate by LC-MS/MS analysis				J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50169698 (CHEMBL3806191) Show SMILES Nc1[nH]ncc1-c1cccc(c1)-c1cccc(N)c1 Show InChI InChI=1S/C15H14N4/c16-13-6-2-4-11(8-13)10-3-1-5-12(7-10)14-9-18-19-15(14)17/h1-9H,16H2,(H3,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate by LC-MS/MS analysis				J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50169698 (CHEMBL3806191) Show SMILES Nc1[nH]ncc1-c1cccc(c1)-c1cccc(N)c1 Show InChI InChI=1S/C15H14N4/c16-13-6-2-4-11(8-13)10-3-1-5-12(7-10)14-9-18-19-15(14)17/h1-9H,16H2,(H3,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate by LC-MS/MS analysis				J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4
					More data for this Ligand-Target Pair
Cytochrome P450 144 [31-434] (Mycobacterium tuberculosis)	BDBM222346 (CYP144A1 ligand, 1) Show SMILES Oc1ccc(cc1)-c1n[nH]c(NCc2cccc3[nH]ncc23)c1-c1ccc(O)cc1 Show InChI InChI=1S/C23H19N5O2/c29-17-8-4-14(5-9-17)21-22(15-6-10-18(30)11-7-15)27-28-23(21)24-12-16-2-1-3-20-19(16)13-25-26-20/h1-11,13,29-30H,12H2,(H,25,26)(H2,24,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8.20E+4	n/a	n/a	n/a	7.0	n/a
University of Cambridge					Assay Description Optical titrations to determine the binding affinity (KD values) of ligands were carried out on a Cary 60 UV−visible spectrophotometer (Varian,...				Biochemistry 56: 1559-1572 (2017) Article DOI: 10.1021/acs.biochem.6b00954 BindingDB Entry DOI: 10.7270/Q2SJ1JF3
					More data for this Ligand-Target Pair
Cytochrome P450 144 [31-434] (Mycobacterium tuberculosis)	BDBM222347 (CYP144A1 ligand, 2) Show SMILES Oc1ccc(cc1)-c1n[nH]c(NCc2c[nH]cn2)c1-c1ccc(O)cc1 Show InChI InChI=1S/C19H17N5O2/c25-15-5-1-12(2-6-15)17-18(13-3-7-16(26)8-4-13)23-24-19(17)21-10-14-9-20-11-22-14/h1-9,11,25-26H,10H2,(H,20,22)(H2,21,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	2.00E+5	n/a	n/a	n/a	7.0	n/a
University of Cambridge					Assay Description Optical titrations to determine the binding affinity (KD values) of ligands were carried out on a Cary 60 UV−visible spectrophotometer (Varian,...				Biochemistry 56: 1559-1572 (2017) Article DOI: 10.1021/acs.biochem.6b00954 BindingDB Entry DOI: 10.7270/Q2SJ1JF3
					More data for this Ligand-Target Pair
Cytochrome P450 144 [31-434] (Mycobacterium tuberculosis)	BDBM222348 (CYP144A1 ligand, 3) Show SMILES Nc1[nH]nc(c1-c1ccc(O)c(c1)-c1cccc(N)c1)-c1ccc(O)cc1 Show InChI InChI=1S/C21H18N4O2/c22-15-3-1-2-13(10-15)17-11-14(6-9-18(17)27)19-20(24-25-21(19)23)12-4-7-16(26)8-5-12/h1-11,26-27H,22H2,(H3,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	1.40E+5	n/a	n/a	n/a	7.5	25
University of Cambridge					Assay Description ITC binding isotherms were recorded on a MicroCal ITC200 instrument (MalvernInstruments). Titrations were conducted at 25 °C by injecting aliquots (2...				Biochemistry 56: 1559-1572 (2017) Article DOI: 10.1021/acs.biochem.6b00954 BindingDB Entry DOI: 10.7270/Q2SJ1JF3
					More data for this Ligand-Target Pair
Cytochrome P450 144 [31-434] (Mycobacterium tuberculosis)	BDBM24656 (4-PIM | 4-Phenylimidazole | 4-phenyl-1H-imidazole ...) Show SMILES c1nc(c[nH]1)-c1ccccc1 Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.98E+6	n/a	n/a	n/a	7.0	n/a
University of Cambridge					Assay Description Optical titrations to determine the binding affinity (KD values) of ligands were carried out on a Cary 60 UV−visible spectrophotometer (Varian,...				Biochemistry 56: 1559-1572 (2017) Article DOI: 10.1021/acs.biochem.6b00954 BindingDB Entry DOI: 10.7270/Q2SJ1JF3
					More data for this Ligand-Target Pair
Cytochrome P450 144 [31-434] (Mycobacterium tuberculosis)	BDBM7886 (1-PIM | 1-phenyl-1H-imidazole | 1-phenylimidazole ...) Show SMILES c1cn(cn1)-c1ccccc1 Show InChI InChI=1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.90E+5	n/a	n/a	n/a	7.0	n/a
University of Cambridge					Assay Description Optical titrations to determine the binding affinity (KD values) of ligands were carried out on a Cary 60 UV−visible spectrophotometer (Varian,...				Biochemistry 56: 1559-1572 (2017) Article DOI: 10.1021/acs.biochem.6b00954 BindingDB Entry DOI: 10.7270/Q2SJ1JF3
					More data for this Ligand-Target Pair
Cytochrome P450 144 [31-434] (Mycobacterium tuberculosis)	BDBM222349 (CYP144A1 ligand, 4) Show SMILES Brc1ccc(cc1)-c1c[nH]cn1 Show InChI InChI=1S/C9H7BrN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	2.30E+5	n/a	n/a	n/a	7.0	n/a
University of Cambridge					Assay Description Optical titrations to determine the binding affinity (KD values) of ligands were carried out on a Cary 60 UV−visible spectrophotometer (Varian,...				Biochemistry 56: 1559-1572 (2017) Article DOI: 10.1021/acs.biochem.6b00954 BindingDB Entry DOI: 10.7270/Q2SJ1JF3
					More data for this Ligand-Target Pair

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