Compile Data Set for Download or QSAR

Found 77 hits with Last Name = 'rohe' and Initial = 'a'   

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
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM13216 (BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM3096 (2-aminopyrido[2,3-d]pyrimidin-7(8H)-one deriv. | 6...) Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.3,-10.68,;-6.82,-11.08,;-5.73,-9.99,;-4.24,-10.39,;-3.15,-9.3,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)| Show InChI InChI=1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM3096 (2-aminopyrido[2,3-d]pyrimidin-7(8H)-one deriv. | 6...) Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.3,-10.68,;-6.82,-11.08,;-5.73,-9.99,;-4.24,-10.39,;-3.15,-9.3,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)| Show InChI InChI=1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM4213 (6-(2,6-dichlorophenyl)-8-methyl-2-{[4-(morpholin-4...) Show SMILES Cn1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.52,-2.15,;-.52,-.61,;-1.86,.16,;-3.19,-.61,;-4.53,.16,;-5.86,-.61,;-7.19,.16,;-8.55,-.56,;-9.86,.26,;-9.8,1.8,;-8.44,2.52,;-7.14,1.7,;-11.11,2.62,;-11.11,4.16,;-12.44,4.93,;-13.78,4.16,;-13.78,2.62,;-12.44,1.85,;-4.53,1.7,;-3.19,2.47,;-1.86,1.7,;-.52,2.47,;.81,1.7,;2.14,2.47,;2.14,4.01,;.81,4.78,;3.48,4.78,;4.81,4.01,;4.81,2.47,;3.48,1.7,;3.48,.16,;.81,.16,;2.14,-.61,)| Show InChI InChI=1S/C24H21Cl2N5O2/c1-30-22-15(13-18(23(30)32)21-19(25)3-2-4-20(21)26)14-27-24(29-22)28-16-5-7-17(8-6-16)31-9-11-33-12-10-31/h2-8,13-14H,9-12H2,1H3,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM4213 (6-(2,6-dichlorophenyl)-8-methyl-2-{[4-(morpholin-4...) Show SMILES Cn1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.52,-2.15,;-.52,-.61,;-1.86,.16,;-3.19,-.61,;-4.53,.16,;-5.86,-.61,;-7.19,.16,;-8.55,-.56,;-9.86,.26,;-9.8,1.8,;-8.44,2.52,;-7.14,1.7,;-11.11,2.62,;-11.11,4.16,;-12.44,4.93,;-13.78,4.16,;-13.78,2.62,;-12.44,1.85,;-4.53,1.7,;-3.19,2.47,;-1.86,1.7,;-.52,2.47,;.81,1.7,;2.14,2.47,;2.14,4.01,;.81,4.78,;3.48,4.78,;4.81,4.01,;4.81,2.47,;3.48,1.7,;3.48,.16,;.81,.16,;2.14,-.61,)| Show InChI InChI=1S/C24H21Cl2N5O2/c1-30-22-15(13-18(23(30)32)21-19(25)3-2-4-20(21)26)14-27-24(29-22)28-16-5-7-17(8-6-16)31-9-11-33-12-10-31/h2-8,13-14H,9-12H2,1H3,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM6572 (6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl...) Show SMILES Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F |(-2.83,-3.52,;-4.17,-2.76,;-4.17,-1.22,;-5.51,-.46,;-5.51,1.08,;-4.18,1.86,;-4.18,3.4,;-2.84,4.17,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.09,;-6.84,-1.23,;-6.83,-2.77,;-5.5,-3.54,;-5.49,-5.08,)| Show InChI InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50462633 (CHEMBL587965 | D3RKN_47) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2cccc(CS(C)(=O)=O)c2)ncc1C Show InChI InChI=1S/C21H23N5O3S/c1-14-12-23-21(24-16-8-6-7-15(11-16)13-30(3,28)29)26-19(14)25-18-10-5-4-9-17(18)20(27)22-2/h4-12H,13H2,1-3H3,(H,22,27)(H2,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM4552 (4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...) Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM25198 (3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methyl...) Show SMILES Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)S(C)(=O)=O Show InChI InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50462632 (CHEMBL545839) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1Cl Show InChI InChI=1S/C22H23ClN6O2/c1-24-21(30)17-4-2-3-5-19(17)27-20-18(23)14-25-22(28-20)26-15-6-8-16(9-7-15)29-10-12-31-13-11-29/h2-9,14H,10-13H2,1H3,(H,24,30)(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50462631 (CHEMBL4241193) Show SMILES COc1cc(Nc2ncc(C#N)c(Nc3ccccc3C(N)=O)n2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C24H26N8O2/c1-31-9-11-32(12-10-31)20-8-7-17(13-21(20)34-2)28-24-27-15-16(14-25)23(30-24)29-19-6-4-3-5-18(19)22(26)33/h3-8,13,15H,9-12H2,1-2H3,(H2,26,33)(H2,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM12255 (AZD0530 | CHEMBL217092 | Compound 33 | N-(5-chloro...) Show SMILES CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 Show InChI InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM26179 (2,4-dianilino pyrimidine, 36 | 3-{[4-(1H-indazol-4...) Show SMILES NC(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1 Show InChI InChI=1S/C18H15N7O/c19-17(26)11-3-1-4-12(9-11)22-18-20-8-7-16(24-18)23-14-5-2-6-15-13(14)10-21-25-15/h1-10H,(H2,19,26)(H,21,25)(H2,20,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50462636 (CHEMBL4246519) Show SMILES Cc1cc(O)cc(Nc2ccnc3cc(ccc23)-c2ccccn2)c1 Show InChI InChI=1S/C21H17N3O/c1-14-10-16(13-17(25)11-14)24-20-7-9-23-21-12-15(5-6-18(20)21)19-4-2-3-8-22-19/h2-13,25H,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50462635 (CHEMBL582038 | D3RKN_85) Show SMILES Oc1cccc(Nc2ccnc3cc(ccc23)-c2ccncc2)c1 Show InChI InChI=1S/C20H15N3O/c24-17-3-1-2-16(13-17)23-19-8-11-22-20-12-15(4-5-18(19)20)14-6-9-21-10-7-14/h1-13,24H,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM13216 (BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50462633 (CHEMBL587965 | D3RKN_47) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2cccc(CS(C)(=O)=O)c2)ncc1C Show InChI InChI=1S/C21H23N5O3S/c1-14-12-23-21(24-16-8-6-7-15(11-16)13-30(3,28)29)26-19(14)25-18-10-5-4-9-17(18)20(27)22-2/h4-12H,13H2,1-3H3,(H,22,27)(H2,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50462632 (CHEMBL545839) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1Cl Show InChI InChI=1S/C22H23ClN6O2/c1-24-21(30)17-4-2-3-5-19(17)27-20-18(23)14-25-22(28-20)26-15-6-8-16(9-7-15)29-10-12-31-13-11-29/h2-9,14H,10-13H2,1H3,(H,24,30)(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50462635 (CHEMBL582038 | D3RKN_85) Show SMILES Oc1cccc(Nc2ccnc3cc(ccc23)-c2ccncc2)c1 Show InChI InChI=1S/C20H15N3O/c24-17-3-1-2-16(13-17)23-19-8-11-22-20-12-15(4-5-18(19)20)14-6-9-21-10-7-14/h1-13,24H,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	201	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM4552 (4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...) Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	304	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50462631 (CHEMBL4241193) Show SMILES COc1cc(Nc2ncc(C#N)c(Nc3ccccc3C(N)=O)n2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C24H26N8O2/c1-31-9-11-32(12-10-31)20-8-7-17(13-21(20)34-2)28-24-27-15-16(14-25)23(30-24)29-19-6-4-3-5-18(19)22(26)33/h3-8,13,15H,9-12H2,1-2H3,(H2,26,33)(H2,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	462	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50240826 (AZD-1775 | MK-1775 | US11124518, Example AZD1775 |...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1 Show InChI InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50375251 (CHEMBL218088) Show SMILES Cc1cc(O)cc(C)c1\C=C\c1cncc(c1)C(N)=O Show InChI InChI=1S/C16H16N2O2/c1-10-5-14(19)6-11(2)15(10)4-3-12-7-13(16(17)20)9-18-8-12/h3-9,19H,1-2H3,(H2,17,20)/b4-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	522	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM25198 (3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methyl...) Show SMILES Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)S(C)(=O)=O Show InChI InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents	Article PubMed	588	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50240826 (AZD-1775 | MK-1775 | US11124518, Example AZD1775 |...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1 Show InChI InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	601	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50462634 (CHEMBL579952 | D3RKN_125) Show SMILES Fc1cccc(F)c1C(=O)Nc1cccc(c1)-c1nn2ncccc2c1-c1ccnc(Nc2cccnc2)n1 Show InChI InChI=1S/C28H18F2N8O/c29-20-8-2-9-21(30)24(20)27(39)34-18-6-1-5-17(15-18)26-25(23-10-4-13-33-38(23)37-26)22-11-14-32-28(36-22)35-19-7-3-12-31-16-19/h1-16H,(H,34,39)(H,32,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50375251 (CHEMBL218088) Show SMILES Cc1cc(O)cc(C)c1\C=C\c1cncc(c1)C(N)=O Show InChI InChI=1S/C16H16N2O2/c1-10-5-14(19)6-11(2)15(10)4-3-12-7-13(16(17)20)9-18-8-12/h3-9,19H,1-2H3,(H2,17,20)/b4-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM26179 (2,4-dianilino pyrimidine, 36 | 3-{[4-(1H-indazol-4...) Show SMILES NC(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1 Show InChI InChI=1S/C18H15N7O/c19-17(26)11-3-1-4-12(9-11)22-18-20-8-7-16(24-18)23-14-5-2-6-15-13(14)10-21-25-15/h1-10H,(H2,19,26)(H,21,25)(H2,20,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM3532 (CHEMBL540068 | CHEMBL7917 | N-(3-chlorophenyl)-6,7...) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC Show InChI InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM12255 (AZD0530 | CHEMBL217092 | Compound 33 | N-(5-chloro...) Show SMILES CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 Show InChI InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM27475 (2-amino-3-phenyl-5-(pyridin-4-yl)benzamide | Amino...) Show SMILES NC(=O)c1cc(cc(-c2ccccc2)c1N)-c1ccncc1 Show InChI InChI=1S/C18H15N3O/c19-17-15(13-4-2-1-3-5-13)10-14(11-16(17)18(20)22)12-6-8-21-9-7-12/h1-11H,19H2,(H2,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM27475 (2-amino-3-phenyl-5-(pyridin-4-yl)benzamide | Amino...) Show SMILES NC(=O)c1cc(cc(-c2ccccc2)c1N)-c1ccncc1 Show InChI InChI=1S/C18H15N3O/c19-17-15(13-4-2-1-3-5-13)10-14(11-16(17)18(20)22)12-6-8-21-9-7-12/h1-11H,19H2,(H2,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50462636 (CHEMBL4246519) Show SMILES Cc1cc(O)cc(Nc2ccnc3cc(ccc23)-c2ccccn2)c1 Show InChI InChI=1S/C21H17N3O/c1-14-10-16(13-17(25)11-14)24-20-7-9-23-21-12-15(5-6-18(20)21)19-4-2-3-8-22-19/h2-13,25H,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM6572 (6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl...) Show SMILES Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F |(-2.83,-3.52,;-4.17,-2.76,;-4.17,-1.22,;-5.51,-.46,;-5.51,1.08,;-4.18,1.86,;-4.18,3.4,;-2.84,4.17,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.09,;-6.84,-1.23,;-6.83,-2.77,;-5.5,-3.54,;-5.49,-5.08,)| Show InChI InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50462634 (CHEMBL579952 | D3RKN_125) Show SMILES Fc1cccc(F)c1C(=O)Nc1cccc(c1)-c1nn2ncccc2c1-c1ccnc(Nc2cccnc2)n1 Show InChI InChI=1S/C28H18F2N8O/c29-20-8-2-9-21(30)24(20)27(39)34-18-6-1-5-17(15-18)26-25(23-10-4-13-33-38(23)37-26)22-11-14-32-28(36-22)35-19-7-3-12-31-16-19/h1-16H,(H,34,39)(H,32,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM3532 (CHEMBL540068 | CHEMBL7917 | N-(3-chlorophenyl)-6,7...) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC Show InChI InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.62E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50240826 (AZD-1775 | MK-1775 | US11124518, Example AZD1775 |...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1 Show InChI InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human Wee1 using poly(Lys,Tyr) as substrate after 30 mins in presence of [gamma-33P]-ATP by liquid scintillation counting m...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM13216 (BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM3096 (2-aminopyrido[2,3-d]pyrimidin-7(8H)-one deriv. | 6...) Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.3,-10.68,;-6.82,-11.08,;-5.73,-9.99,;-4.24,-10.39,;-3.15,-9.3,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)| Show InChI InChI=1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Competitive inhibition of human Myt1 by TR-FRET assay				Bioorg Med Chem Lett 22: 1219-23 (2012) Article DOI: 10.1016/j.bmcl.2011.11.064 BindingDB Entry DOI: 10.7270/Q2ZG6SQB
					More data for this Ligand-Target Pair
Myelin transcription factor 1 (Homo sapiens (Human))	BDBM3096 (2-aminopyrido[2,3-d]pyrimidin-7(8H)-one deriv. | 6...) Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.3,-10.68,;-6.82,-11.08,;-5.73,-9.99,;-4.24,-10.39,;-3.15,-9.3,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)| Show InChI InChI=1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Binding affinity to human full-length His-tagged Myt1 kinase expressed in HEK293 cells by TR-FRET based binding assay				Eur J Med Chem 61: 41-8 (2013) Article DOI: 10.1016/j.ejmech.2012.06.007 BindingDB Entry DOI: 10.7270/Q21R6RV3
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM3096 (2-aminopyrido[2,3-d]pyrimidin-7(8H)-one deriv. | 6...) Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.3,-10.68,;-6.82,-11.08,;-5.73,-9.99,;-4.24,-10.39,;-3.15,-9.3,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)| Show InChI InChI=1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM4213 (6-(2,6-dichlorophenyl)-8-methyl-2-{[4-(morpholin-4...) Show SMILES Cn1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.52,-2.15,;-.52,-.61,;-1.86,.16,;-3.19,-.61,;-4.53,.16,;-5.86,-.61,;-7.19,.16,;-8.55,-.56,;-9.86,.26,;-9.8,1.8,;-8.44,2.52,;-7.14,1.7,;-11.11,2.62,;-11.11,4.16,;-12.44,4.93,;-13.78,4.16,;-13.78,2.62,;-12.44,1.85,;-4.53,1.7,;-3.19,2.47,;-1.86,1.7,;-.52,2.47,;.81,1.7,;2.14,2.47,;2.14,4.01,;.81,4.78,;3.48,4.78,;4.81,4.01,;4.81,2.47,;3.48,1.7,;3.48,.16,;.81,.16,;2.14,-.61,)| Show InChI InChI=1S/C24H21Cl2N5O2/c1-30-22-15(13-18(23(30)32)21-19(25)3-2-4-20(21)26)14-27-24(29-22)28-16-5-7-17(8-6-16)31-9-11-33-12-10-31/h2-8,13-14H,9-12H2,1H3,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM3096 (2-aminopyrido[2,3-d]pyrimidin-7(8H)-one deriv. | 6...) Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.3,-10.68,;-6.82,-11.08,;-5.73,-9.99,;-4.24,-10.39,;-3.15,-9.3,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)| Show InChI InChI=1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM4213 (6-(2,6-dichlorophenyl)-8-methyl-2-{[4-(morpholin-4...) Show SMILES Cn1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.52,-2.15,;-.52,-.61,;-1.86,.16,;-3.19,-.61,;-4.53,.16,;-5.86,-.61,;-7.19,.16,;-8.55,-.56,;-9.86,.26,;-9.8,1.8,;-8.44,2.52,;-7.14,1.7,;-11.11,2.62,;-11.11,4.16,;-12.44,4.93,;-13.78,4.16,;-13.78,2.62,;-12.44,1.85,;-4.53,1.7,;-3.19,2.47,;-1.86,1.7,;-.52,2.47,;.81,1.7,;2.14,2.47,;2.14,4.01,;.81,4.78,;3.48,4.78,;4.81,4.01,;4.81,2.47,;3.48,1.7,;3.48,.16,;.81,.16,;2.14,-.61,)| Show InChI InChI=1S/C24H21Cl2N5O2/c1-30-22-15(13-18(23(30)32)21-19(25)3-2-4-20(21)26)14-27-24(29-22)28-16-5-7-17(8-6-16)31-9-11-33-12-10-31/h2-8,13-14H,9-12H2,1H3,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Myelin transcription factor 1 (Homo sapiens (Human))	BDBM13216 (BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	PDB MMDB 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	63	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Binding affinity to human full-length His-tagged Myt1 kinase expressed in HEK293 cells by TR-FRET based binding assay				Eur J Med Chem 61: 41-8 (2013) Article DOI: 10.1016/j.ejmech.2012.06.007 BindingDB Entry DOI: 10.7270/Q21R6RV3
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM6572 (6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl...) Show SMILES Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F |(-2.83,-3.52,;-4.17,-2.76,;-4.17,-1.22,;-5.51,-.46,;-5.51,1.08,;-4.18,1.86,;-4.18,3.4,;-2.84,4.17,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.09,;-6.84,-1.23,;-6.83,-2.77,;-5.5,-3.54,;-5.49,-5.08,)| Show InChI InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50462633 (CHEMBL587965 | D3RKN_47) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2cccc(CS(C)(=O)=O)c2)ncc1C Show InChI InChI=1S/C21H23N5O3S/c1-14-12-23-21(24-16-8-6-7-15(11-16)13-30(3,28)29)26-19(14)25-18-10-5-4-9-17(18)20(27)22-2/h4-12H,13H2,1-3H3,(H,22,27)(H2,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM4552 (4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...) Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50462633 (CHEMBL587965 | D3RKN_47) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2cccc(CS(C)(=O)=O)c2)ncc1C Show InChI InChI=1S/C21H23N5O3S/c1-14-12-23-21(24-16-8-6-7-15(11-16)13-30(3,28)29)26-19(14)25-18-10-5-4-9-17(18)20(27)22-2/h4-12H,13H2,1-3H3,(H,22,27)(H2,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM25198 (3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methyl...) Show SMILES Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)S(C)(=O)=O Show InChI InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	177	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...				Bioorg Med Chem 26: 4014-4024 (2018) Article DOI: 10.1016/j.bmc.2018.06.027 BindingDB Entry DOI: 10.7270/Q29Z97K0
					More data for this Ligand-Target Pair

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