Compile Data Set for Download or QSAR

Found 517 hits with Last Name = 'sameshima' and Initial = 't'   

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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50036201 (CHEMBL3358688) Show SMILES OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Sc1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClO3S/c23-18-10-12-19(13-11-18)27-21(22(25)26)14-20(24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-13,15,21H,1-5,14H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of F-bid from human recombinant N-terminal His-tagged Bcl-xL (1 to 209) expressed in Escherichia coli BL21(DE3) after 2 hrs by fluoresce...				Bioorg Med Chem Lett 24: 5836-9 (2014) Article DOI: 10.1016/j.bmcl.2014.09.073 BindingDB Entry DOI: 10.7270/Q2C82BWB
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50036202 (CHEMBL3358689) Show SMILES OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C23H25ClO3/c24-21-12-6-16(7-13-21)14-20(23(26)27)15-22(25)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h6-13,17,20H,1-5,14-15H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Reversible inhibition of human recombinant N-terminal His-tagged Bcl-xL (1 to 209) expressed in Escherichia coli BL21(DE3) after 30 to 120 mins by TR...				Bioorg Med Chem Lett 24: 5836-9 (2014) Article DOI: 10.1016/j.bmcl.2014.09.073 BindingDB Entry DOI: 10.7270/Q2C82BWB
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50036201 (CHEMBL3358688) Show SMILES OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Sc1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClO3S/c23-18-10-12-19(13-11-18)27-21(22(25)26)14-20(24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-13,15,21H,1-5,14H2,(H,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of F-bid from human recombinant N-terminal His-tagged Mcl-1 (1 to 319) expressed in Escherichia coli BL21(DE3) after 120 mins by TR-FRET...				Bioorg Med Chem Lett 24: 5836-9 (2014) Article DOI: 10.1016/j.bmcl.2014.09.073 BindingDB Entry DOI: 10.7270/Q2C82BWB
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50036201 (CHEMBL3358688) Show SMILES OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Sc1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClO3S/c23-18-10-12-19(13-11-18)27-21(22(25)26)14-20(24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-13,15,21H,1-5,14H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of F-bid from human recombinant N-terminal His-tagged Bcl-xL (1 to 209) expressed in Escherichia coli BL21(DE3) after 120 mins by TR-FRE...				Bioorg Med Chem Lett 24: 5836-9 (2014) Article DOI: 10.1016/j.bmcl.2014.09.073 BindingDB Entry DOI: 10.7270/Q2C82BWB
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50036201 (CHEMBL3358688) Show SMILES OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Sc1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClO3S/c23-18-10-12-19(13-11-18)27-21(22(25)26)14-20(24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-13,15,21H,1-5,14H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Reversible inhibition of human recombinant N-terminal His-tagged Bcl-xL (1 to 209) expressed in Escherichia coli BL21(DE3) after 30 to 120 mins by TR...				Bioorg Med Chem Lett 24: 5836-9 (2014) Article DOI: 10.1016/j.bmcl.2014.09.073 BindingDB Entry DOI: 10.7270/Q2C82BWB
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50036201 (CHEMBL3358688) Show SMILES OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Sc1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClO3S/c23-18-10-12-19(13-11-18)27-21(22(25)26)14-20(24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-13,15,21H,1-5,14H2,(H,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of F-bid from human recombinant N-terminal His-tagged Mcl-1 (1 to 319) expressed in Escherichia coli BL21(DE3) after 2 hrs by fluorescen...				Bioorg Med Chem Lett 24: 5836-9 (2014) Article DOI: 10.1016/j.bmcl.2014.09.073 BindingDB Entry DOI: 10.7270/Q2C82BWB
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50036202 (CHEMBL3358689) Show SMILES OC(=O)C(CC(=O)c1ccc(cc1)C1CCCCC1)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C23H25ClO3/c24-21-12-6-16(7-13-21)14-20(23(26)27)15-22(25)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h6-13,17,20H,1-5,14-15H2,(H,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of F-bid from human recombinant N-terminal His-tagged Mcl-1 (1 to 319) expressed in Escherichia coli BL21(DE3) after 120 mins by TR-FRET...				Bioorg Med Chem Lett 24: 5836-9 (2014) Article DOI: 10.1016/j.bmcl.2014.09.073 BindingDB Entry DOI: 10.7270/Q2C82BWB
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50279272 (CHEMBL4164385) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1cccc(OC)c1 |r| Show InChI InChI=1S/C27H36N4O4S/c1-17(28-2)25(33)30-23(18-9-5-4-6-10-18)27(34)31-14-8-13-22(31)26-29-21(16-36-26)24(32)19-11-7-12-20(15-19)35-3/h7,11-12,15-18,22-23,28H,4-6,8-10,13-14H2,1-3H3,(H,30,33)/t17-,22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells				ACS Med Chem Lett 8: 1042-1047 (2017) Article DOI: 10.1021/acsmedchemlett.7b00247 BindingDB Entry DOI: 10.7270/Q2XG9TNP
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50279272 (CHEMBL4164385) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1cccc(OC)c1 |r| Show InChI InChI=1S/C27H36N4O4S/c1-17(28-2)25(33)30-23(18-9-5-4-6-10-18)27(34)31-14-8-13-22(31)26-29-21(16-36-26)24(32)19-11-7-12-20(15-19)35-3/h7,11-12,15-18,22-23,28H,4-6,8-10,13-14H2,1-3H3,(H,30,33)/t17-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral viral infection of MT-4 cells				ACS Med Chem Lett 8: 1042-1047 (2017) Article DOI: 10.1021/acsmedchemlett.7b00247 BindingDB Entry DOI: 10.7270/Q2XG9TNP
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50367855 (CHEMBL4175929) Show SMILES Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C21H22F3N5O2S/c1-28-14-16(12-26-28)15-2-5-19(6-3-15)32(30,31)29-10-8-18(9-11-29)27-20-7-4-17(13-25-20)21(22,23)24/h2-7,12-14,18H,8-11H2,1H3,(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CDK2/CCNA2 (04 to 103 residues) pre-incubated for 5 mins before addition of histone H1 substrate and [gamma-33P]ATP an...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 13/Cyclin-K (Homo sapiens (Human))	BDBM50367676 (CHEMBL4160662) Show SMILES Cn1cc(ccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(17.35,-24.38,;18.11,-25.71,;19.66,-25.71,;20.43,-27.05,;19.66,-28.38,;18.11,-28.38,;17.35,-27.05,;15.8,-27.05,;21.97,-27.05,;22.74,-28.38,;24.28,-28.38,;25.05,-27.05,;24.28,-25.71,;22.74,-25.71,;26.6,-27.05,;27.37,-25.71,;26.6,-24.38,;27.37,-23.04,;28.91,-23.04,;29.68,-24.38,;28.91,-25.71,;29.68,-21.71,;31.22,-21.71,;31.99,-20.37,;33.54,-20.37,;34.3,-21.71,;33.54,-23.04,;31.99,-23.04,;35.85,-21.71,;37.39,-21.71,;27.37,-28.38,;26.6,-29.71,;28.91,-28.38,;29.68,-29.71,;31.22,-29.71,;31.99,-28.38,;33.54,-28.38,;34.3,-29.71,;33.54,-31.05,;31.99,-31.05,)| Show InChI InChI=1S/C32H32N6O2/c1-37-22-26(10-18-31(37)39)25-8-13-28(14-9-25)38(32(40)35-20-23-5-3-2-4-6-23)29-15-11-27(12-16-29)36-30-17-7-24(19-33)21-34-30/h2-10,13-14,17-18,21-22,27,29H,11-12,15-16,20H2,1H3,(H,34,36)(H,35,40)/t27-,29-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged human full-length CDK13 (1 to 1512 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50367737 (CHEMBL4173631) Show SMILES Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N Show InChI InChI=1S/C21H22N6O2S/c1-26-15-18(14-24-26)17-3-5-20(6-4-17)30(28,29)27-10-8-19(9-11-27)25-21-7-2-16(12-22)13-23-21/h2-7,13-15,19H,8-11H2,1H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CDK2/CCNA2 (04 to 103 residues) pre-incubated for 5 mins before addition of histone H1 substrate and [gamma-33P]ATP an...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50367857 (CHEMBL4159417) Show SMILES CC(=O)N([C@H]1CC[C@@H](CC1)Nc1ncc2ccccc2n1)c1ccc(cc1)-c1cnn(C)c1 |r,wU:4.3,wD:7.10,(61.19,-8.94,;59.85,-9.71,;58.52,-8.94,;59.85,-11.25,;58.51,-12.02,;58.51,-13.56,;57.18,-14.32,;55.86,-13.55,;55.83,-12.02,;57.18,-11.24,;54.52,-14.32,;53.19,-13.56,;51.85,-14.33,;50.51,-13.56,;50.51,-12.01,;49.19,-11.25,;49.18,-9.72,;50.51,-8.95,;51.84,-9.71,;51.84,-11.24,;53.18,-12.01,;61.19,-12.03,;61.17,-13.56,;62.51,-14.33,;63.84,-13.57,;63.84,-12.02,;62.51,-11.25,;65.18,-14.34,;65.34,-15.87,;66.85,-16.19,;67.62,-14.85,;69.15,-14.69,;66.59,-13.71,)| Show InChI InChI=1S/C26H28N6O/c1-18(33)32(23-11-7-19(8-12-23)21-16-28-31(2)17-21)24-13-9-22(10-14-24)29-26-27-15-20-5-3-4-6-25(20)30-26/h3-8,11-12,15-17,22,24H,9-10,13-14H2,1-2H3,(H,27,29,30)/t22-,24-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| 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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CDK9/CycT1 (04 to 110 residues) assessed as reduction in ATP-dependent ULight-4E-BP1 (Thr37/Thr46) substrate peptide p...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| 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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG 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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CDK8/CycC (04 to 109 residues) using kinase tracer 236 probe incubated for 60 mins by TR-FRET assay				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50367857 (CHEMBL4159417) Show SMILES CC(=O)N([C@H]1CC[C@@H](CC1)Nc1ncc2ccccc2n1)c1ccc(cc1)-c1cnn(C)c1 |r,wU:4.3,wD:7.10,(61.19,-8.94,;59.85,-9.71,;58.52,-8.94,;59.85,-11.25,;58.51,-12.02,;58.51,-13.56,;57.18,-14.32,;55.86,-13.55,;55.83,-12.02,;57.18,-11.24,;54.52,-14.32,;53.19,-13.56,;51.85,-14.33,;50.51,-13.56,;50.51,-12.01,;49.19,-11.25,;49.18,-9.72,;50.51,-8.95,;51.84,-9.71,;51.84,-11.24,;53.18,-12.01,;61.19,-12.03,;61.17,-13.56,;62.51,-14.33,;63.84,-13.57,;63.84,-12.02,;62.51,-11.25,;65.18,-14.34,;65.34,-15.87,;66.85,-16.19,;67.62,-14.85,;69.15,-14.69,;66.59,-13.71,)| Show InChI InChI=1S/C26H28N6O/c1-18(33)32(23-11-7-19(8-12-23)21-16-28-31(2)17-21)24-13-9-22(10-14-24)29-26-27-15-20-5-3-4-6-25(20)30-26/h3-8,11-12,15-17,22,24H,9-10,13-14H2,1-2H3,(H,27,29,30)/t22-,24-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CDK2/CCNA2 (04 to 103 residues) pre-incubated for 5 mins before addition of histone H1 substrate and [gamma-33P]ATP an...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50367955 (CHEMBL4174716) Show SMILES Cn1cc(cn1)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)S(C)(=O)=O |r,wU:13.14,wD:16.21,(31.03,-25.96,;29.49,-26.06,;28.51,-24.88,;27.08,-25.45,;27.17,-26.98,;28.67,-27.36,;25.77,-24.62,;25.84,-23.08,;24.54,-22.26,;23.17,-22.98,;23.11,-24.52,;24.41,-25.34,;21.86,-22.15,;20.54,-22.94,;20.56,-24.48,;19.23,-25.27,;17.89,-24.52,;17.87,-22.98,;19.19,-22.19,;16.57,-25.3,;15.22,-24.55,;13.9,-25.34,;12.55,-24.58,;12.53,-23.04,;13.86,-22.26,;15.2,-23.01,;11.19,-22.29,;9.84,-21.53,;21.93,-20.61,;23.25,-19.82,;20.58,-19.86,;21.53,-19.11,)| Show InChI InChI=1S/C23H26N6O2S/c1-28-16-19(15-26-28)18-4-8-21(9-5-18)29(32(2,30)31)22-10-6-20(7-11-22)27-23-12-3-17(13-24)14-25-23/h3-5,8-9,12,14-16,20,22H,6-7,10-11H2,1-2H3,(H,25,27)/t20-,22-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CDK2/CCNA2 (04 to 103 residues) pre-incubated for 5 mins before addition of histone H1 substrate and [gamma-33P]ATP an...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50367873 (CHEMBL4169139) Show SMILES Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1cc(ccn1)C#N Show InChI InChI=1S/C21H22N6O2S/c1-26-15-18(14-24-26)17-2-4-20(5-3-17)30(28,29)27-10-7-19(8-11-27)25-21-12-16(13-22)6-9-23-21/h2-6,9,12,14-15,19H,7-8,10-11H2,1H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CDK2/CCNA2 (04 to 103 residues) pre-incubated for 5 mins before addition of histone H1 substrate and [gamma-33P]ATP an...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50279265 (CHEMBL4162041) Show SMILES COC(=O)C1CCN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C22H20ClF2N5O4/c1-33-21(32)13-7-9-30(12-13)19-17(18-6-8-27-29-18)10-14(11-26-19)20(31)28-15-2-4-16(5-3-15)34-22(23,24)25/h2-6,8,10-11,13H,7,9,12H2,1H3,(H,27,29)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length ABL1 allosteric site expressed in baculovirus expression system by TR-FRET assay				ACS Med Chem Lett 8: 1042-1047 (2017) Article DOI: 10.1021/acsmedchemlett.7b00247 BindingDB Entry DOI: 10.7270/Q2XG9TNP
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50242325 (CHEMBL4072295) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r| Show InChI InChI=1S/C108H182N44O25S2/c1-8-56(6)81-98(175)146-74(51-153)93(170)143-71(48-58-29-33-60(155)34-30-58)91(168)145-73(50-79(157)158)99(176)151-45-18-28-78(151)96(173)149-80(55(4)5)97(174)147-75(94(171)141-68(25-15-43-132-107(122)123)88(165)139-66(23-13-41-130-105(118)119)86(163)137-64(21-11-39-128-103(114)115)84(161)135-62(82(109)159)19-9-37-126-101(110)111)52-178-179-53-76(100(177)152-46-17-27-77(152)95(172)144-70(47-54(2)3)90(167)142-72(92(169)150-81)49-59-31-35-61(156)36-32-59)148-89(166)69(26-16-44-133-108(124)125)140-87(164)67(24-14-42-131-106(120)121)138-85(162)65(22-12-40-129-104(116)117)136-83(160)63(134-57(7)154)20-10-38-127-102(112)113/h29-36,54-56,62-78,80-81,153,155-156H,8-28,37-53H2,1-7H3,(H2,109,159)(H,134,154)(H,135,161)(H,136,160)(H,137,163)(H,138,162)(H,139,165)(H,140,164)(H,141,171)(H,142,167)(H,143,170)(H,144,172)(H,145,168)(H,146,175)(H,147,174)(H,148,166)(H,149,173)(H,150,169)(H,157,158)(H4,110,111,126)(H4,112,113,127)(H4,114,115,128)(H4,116,117,129)(H4,118,119,130)(H4,120,121,131)(H4,122,123,132)(H4,124,125,133)/t56-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,81-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of biotinylated wild-type K-Ras (unknown origin) assessed as inhibition of human SOS1 (564 to 1049 residues)-mediated BODIPY-GDP-GTP excha...				Bioorg Med Chem Lett 27: 2757-2761 (2017) Article DOI: 10.1016/j.bmcl.2017.04.063 BindingDB Entry DOI: 10.7270/Q2FF3VSX
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50367957 (CHEMBL4174715) Show SMILES Cn1ccc(cc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(13.41,-28.38,;14.96,-28.38,;15.73,-29.72,;17.27,-29.72,;18.04,-28.38,;17.27,-27.05,;15.73,-27.05,;14.96,-25.71,;19.58,-28.38,;20.35,-29.72,;21.9,-29.72,;22.67,-28.38,;21.9,-27.05,;20.35,-27.05,;24.21,-28.38,;24.98,-27.05,;24.21,-25.71,;24.98,-24.38,;26.52,-24.38,;27.29,-25.71,;26.52,-27.05,;27.29,-23.04,;28.84,-23.04,;29.6,-21.71,;31.15,-21.71,;31.92,-23.04,;31.15,-24.38,;29.6,-24.38,;33.46,-23.04,;35.01,-23.04,;24.98,-29.72,;24.21,-31.05,;26.52,-29.72,;27.29,-31.05,;28.84,-31.05,;29.6,-29.72,;31.15,-29.72,;31.92,-31.05,;31.15,-32.38,;29.6,-32.38,)| Show InChI InChI=1S/C32H32N6O2/c1-37-18-17-26(19-31(37)39)25-8-12-28(13-9-25)38(32(40)35-21-23-5-3-2-4-6-23)29-14-10-27(11-15-29)36-30-16-7-24(20-33)22-34-30/h2-9,12-13,16-19,22,27,29H,10-11,14-15,21H2,1H3,(H,34,36)(H,35,40)/t27-,29-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
Cyclin-K/Cyclin-dependent kinase 12 (Homo sapiens (Human))	BDBM50367676 (CHEMBL4160662) Show SMILES Cn1cc(ccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(17.35,-24.38,;18.11,-25.71,;19.66,-25.71,;20.43,-27.05,;19.66,-28.38,;18.11,-28.38,;17.35,-27.05,;15.8,-27.05,;21.97,-27.05,;22.74,-28.38,;24.28,-28.38,;25.05,-27.05,;24.28,-25.71,;22.74,-25.71,;26.6,-27.05,;27.37,-25.71,;26.6,-24.38,;27.37,-23.04,;28.91,-23.04,;29.68,-24.38,;28.91,-25.71,;29.68,-21.71,;31.22,-21.71,;31.99,-20.37,;33.54,-20.37,;34.3,-21.71,;33.54,-23.04,;31.99,-23.04,;35.85,-21.71,;37.39,-21.71,;27.37,-28.38,;26.6,-29.71,;28.91,-28.38,;29.68,-29.71,;31.22,-29.71,;31.99,-28.38,;33.54,-28.38,;34.3,-29.71,;33.54,-31.05,;31.99,-31.05,)| Show InChI InChI=1S/C32H32N6O2/c1-37-22-26(10-18-31(37)39)25-8-13-28(14-9-25)38(32(40)35-20-23-5-3-2-4-6-23)29-15-11-27(12-16-29)36-30-17-7-24(19-33)21-34-30/h2-10,13-14,17-18,21-22,27,29H,11-12,15-16,20H2,1H3,(H,34,36)(H,35,40)/t27-,29-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| 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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 13/Cyclin-K (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| 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 antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged human full-length CDK13 (1 to 1512 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50367685 (CHEMBL4172363) Show SMILES O=C(NCc1ccccc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cccnc1 |r,wU:11.11,wD:14.18,(23.87,-32.62,;24.64,-31.28,;26.18,-31.28,;26.95,-32.62,;28.49,-32.62,;29.26,-31.28,;30.81,-31.28,;31.58,-32.62,;30.81,-33.95,;29.26,-33.95,;23.87,-29.95,;24.64,-28.61,;23.87,-27.28,;24.64,-25.95,;26.18,-25.95,;26.95,-27.28,;26.18,-28.61,;26.95,-24.61,;28.49,-24.61,;29.26,-23.28,;30.81,-23.28,;31.58,-24.61,;30.81,-25.95,;29.26,-25.95,;33.12,-24.61,;34.66,-24.61,;22.32,-29.95,;21.56,-31.28,;20.01,-31.28,;19.24,-29.95,;20.01,-28.61,;21.56,-28.61,;17.7,-29.95,;16.93,-31.28,;15.39,-31.28,;14.61,-29.95,;15.39,-28.61,;16.93,-28.61,)| Show InChI InChI=1S/C31H30N6O/c32-19-24-8-17-30(34-21-24)36-27-11-15-29(16-12-27)37(31(38)35-20-23-5-2-1-3-6-23)28-13-9-25(10-14-28)26-7-4-18-33-22-26/h1-10,13-14,17-18,21-22,27,29H,11-12,15-16,20H2,(H,34,36)(H,35,38)/t27-,29-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50367707 (CHEMBL4167916) Show SMILES O=C(NCc1ccccc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccccc1 |r,wU:11.11,wD:14.18,(25.33,-38.6,;25.33,-37.05,;26.66,-36.28,;27.99,-37.05,;29.32,-36.28,;29.32,-34.75,;30.66,-33.97,;31.99,-34.75,;31.99,-36.28,;30.66,-37.05,;23.99,-36.28,;22.66,-37.05,;22.66,-38.6,;21.33,-39.36,;20,-38.6,;20,-37.05,;21.33,-36.28,;18.67,-39.36,;17.34,-38.6,;16,-39.36,;14.67,-38.6,;14.67,-37.05,;16,-36.28,;17.34,-37.05,;13.34,-36.28,;12,-35.51,;23.99,-34.75,;22.66,-33.97,;22.66,-32.44,;23.99,-31.67,;25.33,-32.44,;25.33,-33.97,)| Show InChI InChI=1S/C26H27N5O/c27-17-21-11-16-25(28-19-21)30-22-12-14-24(15-13-22)31(23-9-5-2-6-10-23)26(32)29-18-20-7-3-1-4-8-20/h1-11,16,19,22,24H,12-15,18H2,(H,28,30)(H,29,32)/t22-,24-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50367845 (CHEMBL4173254) Show SMILES Cn1cc(cn1)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:13.14,wD:16.21,(33.38,-26.71,;31.84,-26.8,;30.86,-25.61,;29.43,-26.18,;29.52,-27.71,;31.01,-28.09,;28.14,-25.34,;28.21,-23.81,;26.91,-22.98,;25.54,-23.69,;25.48,-25.23,;26.77,-26.05,;24.24,-22.86,;22.92,-23.64,;22.93,-25.18,;21.6,-25.96,;20.26,-25.2,;20.25,-23.66,;21.58,-22.88,;18.94,-25.98,;17.6,-25.22,;16.28,-26,;14.94,-25.24,;14.93,-23.7,;16.25,-22.92,;17.59,-23.68,;13.59,-22.94,;12.25,-22.18,;24.31,-21.33,;25.64,-20.55,;22.97,-20.56,;21.65,-21.34,;20.3,-20.58,;20.29,-19.03,;18.94,-18.27,;17.61,-19.06,;17.62,-20.61,;18.97,-21.37,)| Show InChI InChI=1S/C30H31N7O/c1-36-21-25(20-34-36)24-8-12-27(13-9-24)37(30(38)33-18-22-5-3-2-4-6-22)28-14-10-26(11-15-28)35-29-16-7-23(17-31)19-32-29/h2-9,12-13,16,19-21,26,28H,10-11,14-15,18H2,1H3,(H,32,35)(H,33,38)/t26-,28-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50279272 (CHEMBL4164385) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1cccc(OC)c1 |r| Show InChI InChI=1S/C27H36N4O4S/c1-17(28-2)25(33)30-23(18-9-5-4-6-10-18)27(34)31-14-8-13-22(31)26-29-21(16-36-26)24(32)19-11-7-12-20(15-19)35-3/h7,11-12,15-18,22-23,28H,4-6,8-10,13-14H2,1-3H3,(H,30,33)/t17-,22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged XIAP (Asn252 to Thr356 residues) expressed in Escherichia coli by TR-FRET assay				ACS Med Chem Lett 8: 1042-1047 (2017) Article DOI: 10.1021/acsmedchemlett.7b00247 BindingDB Entry DOI: 10.7270/Q2XG9TNP
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50242347 (CHEMBL4082777) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(C)=O |r| Show InChI InChI=1S/C108H182N44O25S2/c1-8-56(6)81-98(175)146-74(51-153)93(170)143-71(48-58-29-33-60(155)34-30-58)91(168)145-73(50-79(157)158)99(176)151-45-18-28-78(151)96(173)149-80(55(4)5)97(174)147-75(94(171)141-68(25-15-43-132-107(122)123)88(165)139-66(23-13-41-130-105(118)119)86(163)137-64(21-11-39-128-103(114)115)84(161)135-62(82(109)159)19-9-37-126-101(110)111)52-178-179-53-76(100(177)152-46-17-27-77(152)95(172)144-70(47-54(2)3)90(167)142-72(92(169)150-81)49-59-31-35-61(156)36-32-59)148-89(166)69(26-16-44-133-108(124)125)140-87(164)67(24-14-42-131-106(120)121)138-85(162)65(22-12-40-129-104(116)117)136-83(160)63(134-57(7)154)20-10-38-127-102(112)113/h29-36,54-56,62-78,80-81,153,155-156H,8-28,37-53H2,1-7H3,(H2,109,159)(H,134,154)(H,135,161)(H,136,160)(H,137,163)(H,138,162)(H,139,165)(H,140,164)(H,141,171)(H,142,167)(H,143,170)(H,144,172)(H,145,168)(H,146,175)(H,147,174)(H,148,166)(H,149,173)(H,150,169)(H,157,158)(H4,110,111,126)(H4,112,113,127)(H4,114,115,128)(H4,116,117,129)(H4,118,119,130)(H4,120,121,131)(H4,122,123,132)(H4,124,125,133)/t56-,62+,63+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,81-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of biotinylated wild-type K-Ras (unknown origin) assessed as inhibition of human SOS1 (564 to 1049 residues)-mediated BODIPY-GDP-GTP excha...				Bioorg Med Chem Lett 27: 2757-2761 (2017) Article DOI: 10.1016/j.bmcl.2017.04.063 BindingDB Entry DOI: 10.7270/Q2FF3VSX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50279273 (CHEMBL4160980) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1cccc(OCCOCCOCCNC(=O)C2CCN(C2)c2ncc(cc2-c2ccn[nH]2)C(=O)Nc2ccc(OC(F)(F)Cl)cc2)c1 |r| Show InChI InChI=1S/C53H63ClF2N10O9S/c1-33(57-2)48(68)63-45(34-8-4-3-5-9-34)52(71)66-21-7-12-44(66)51-62-43(32-76-51)46(67)35-10-6-11-40(28-35)74-27-26-73-25-24-72-23-20-58-49(69)36-18-22-65(31-36)47-41(42-17-19-60-64-42)29-37(30-59-47)50(70)61-38-13-15-39(16-14-38)75-53(54,55)56/h6,10-11,13-17,19,28-30,32-34,36,44-45,57H,3-5,7-9,12,18,20-27,31H2,1-2H3,(H,58,69)(H,60,64)(H,61,70)(H,63,68)/t33-,36?,44-,45-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells				ACS Med Chem Lett 8: 1042-1047 (2017) Article DOI: 10.1021/acsmedchemlett.7b00247 BindingDB Entry DOI: 10.7270/Q2XG9TNP
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50448451 (CHEMBL3126120) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1cc(C)c(c(C)c1)-c1cccc2c(CCCOc3cccc4ccccc34)c(nn12)C(O)=O |r,wU:5.14,(37.04,-56.68,;38.37,-57.46,;38.38,-58.99,;39.71,-56.69,;39.71,-55.15,;41.04,-54.38,;42.38,-55.15,;42.38,-56.69,;43.71,-57.46,;43.7,-59,;45.03,-59.77,;46.37,-59,;46.36,-57.45,;45.03,-56.69,;41.05,-52.84,;39.71,-52.07,;38.38,-52.83,;37.05,-52.06,;37.06,-50.53,;38.38,-49.75,;39.71,-50.52,;41.05,-49.74,;42.39,-50.51,;41.05,-48.2,;35.72,-49.75,;34.18,-49.75,;34.95,-51.08,;35.73,-48.21,;34.39,-47.44,;33.06,-48.21,;34.39,-45.9,;35.73,-45.12,;35.72,-43.59,;37.05,-42.81,;34.39,-42.82,;33.05,-43.59,;31.72,-42.82,;33.05,-45.13,;34.39,-41.29,;33.05,-40.51,;33.06,-38.97,;34.38,-38.2,;35.72,-38.96,;37.2,-38.48,;37.67,-37.02,;36.64,-35.87,;37.12,-34.41,;36.08,-33.27,;36.56,-31.8,;35.53,-30.67,;36,-29.2,;37.51,-28.88,;38.54,-30.02,;40.04,-29.7,;41.06,-30.84,;40.59,-32.31,;39.09,-32.62,;38.06,-31.48,;38.11,-39.74,;37.2,-40.99,;35.72,-40.51,;39.65,-39.74,;40.42,-41.07,;40.42,-38.4,)| Show InChI InChI=1S/C48H48N6O8S2/c1-31-27-34(47(55)51-64(60,61)37-22-23-40(43(29-37)54(58)59)49-35(24-25-52(3)4)30-63-36-15-6-5-7-16-36)28-32(2)45(31)42-20-11-19-41-39(46(48(56)57)50-53(41)42)18-12-26-62-44-21-10-14-33-13-8-9-17-38(33)44/h5-11,13-17,19-23,27-29,35,49H,12,18,24-26,30H2,1-4H3,(H,51,55)(H,56,57)/t35-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of FITC-Bid from GST-tagged human Mcl-1 expressed in Escherichia coli after 2 hrs by TR-FRET assay				J Med Chem 56: 9635-45 (2014) Article DOI: 10.1021/jm401170c BindingDB Entry DOI: 10.7270/Q2MS3V86
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50279274 (CHEMBL4172268) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1cccc(OCCOCCOCCNC(=O)c2cccc(c2)-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1 |r| Show InChI InChI=1S/C50H57F3N8O8S/c1-32(54-2)46(63)60-44(33-9-4-3-5-10-33)49(65)61-21-8-15-42(61)48-59-41(30-70-48)45(62)35-12-7-14-39(28-35)68-26-25-67-24-23-66-22-20-55-47(64)36-13-6-11-34(27-36)40-29-43(57-31-56-40)58-37-16-18-38(19-17-37)69-50(51,52)53/h6-7,11-14,16-19,27-33,42,44,54H,3-5,8-10,15,20-26H2,1-2H3,(H,55,64)(H,60,63)(H,56,57,58)/t32-,42-,44-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells				ACS Med Chem Lett 8: 1042-1047 (2017) Article DOI: 10.1021/acsmedchemlett.7b00247 BindingDB Entry DOI: 10.7270/Q2XG9TNP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50367684 (CHEMBL4162567) Show SMILES Cn1cc(cn1)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCC1CCCCC1 |r,wU:13.14,wD:16.21,(33.38,-26.71,;31.84,-26.8,;30.86,-25.61,;29.43,-26.18,;29.52,-27.71,;31.01,-28.09,;28.14,-25.34,;28.21,-23.81,;26.91,-22.98,;25.54,-23.69,;25.48,-25.23,;26.77,-26.05,;24.24,-22.86,;22.92,-23.64,;22.93,-25.18,;21.6,-25.96,;20.26,-25.2,;20.25,-23.66,;21.58,-22.88,;18.94,-25.98,;17.6,-25.22,;16.28,-26,;14.94,-25.24,;14.93,-23.7,;16.25,-22.92,;17.59,-23.68,;13.59,-22.94,;12.25,-22.18,;24.31,-21.33,;25.64,-20.55,;22.97,-20.56,;21.65,-21.34,;20.3,-20.58,;20.29,-19.03,;18.94,-18.27,;17.61,-19.06,;17.62,-20.61,;18.97,-21.37,)| Show InChI InChI=1S/C30H37N7O/c1-36-21-25(20-34-36)24-8-12-27(13-9-24)37(30(38)33-18-22-5-3-2-4-6-22)28-14-10-26(11-15-28)35-29-16-7-23(17-31)19-32-29/h7-9,12-13,16,19-22,26,28H,2-6,10-11,14-15,18H2,1H3,(H,32,35)(H,33,38)/t26-,28-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50242340 (CHEMBL4070657) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r| Show InChI InChI=1S/C106H178N44O25S2/c1-7-54(4)79-96(173)145-73(50-151)92(169)142-70(47-57-28-32-59(153)33-29-57)90(167)144-72(49-78(155)156)97(174)149-44-16-26-76(149)94(171)132-55(5)81(158)146-74(93(170)140-67(24-14-42-130-105(120)121)87(164)138-65(22-12-40-128-103(116)117)85(162)136-63(20-10-38-126-101(112)113)83(160)134-61(80(107)157)18-8-36-124-99(108)109)51-176-177-52-75(98(175)150-45-17-27-77(150)95(172)143-69(46-53(2)3)89(166)141-71(91(168)148-79)48-58-30-34-60(154)35-31-58)147-88(165)68(25-15-43-131-106(122)123)139-86(163)66(23-13-41-129-104(118)119)137-84(161)64(21-11-39-127-102(114)115)135-82(159)62(133-56(6)152)19-9-37-125-100(110)111/h28-35,53-55,61-77,79,151,153-154H,7-27,36-52H2,1-6H3,(H2,107,157)(H,132,171)(H,133,152)(H,134,160)(H,135,159)(H,136,162)(H,137,161)(H,138,164)(H,139,163)(H,140,170)(H,141,166)(H,142,169)(H,143,172)(H,144,167)(H,145,173)(H,146,158)(H,147,165)(H,148,168)(H,155,156)(H4,108,109,124)(H4,110,111,125)(H4,112,113,126)(H4,114,115,127)(H4,116,117,128)(H4,118,119,129)(H4,120,121,130)(H4,122,123,131)/t54-,55-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,79-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of biotinylated wild-type K-Ras (unknown origin) assessed as inhibition of human SOS1 (564 to 1049 residues)-mediated BODIPY-GDP-GTP excha...				Bioorg Med Chem Lett 27: 2757-2761 (2017) Article DOI: 10.1016/j.bmcl.2017.04.063 BindingDB Entry DOI: 10.7270/Q2FF3VSX
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50367682 (CHEMBL4162128) Show SMILES CC(C)C(=O)OC[C@@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cnc(N)c2c(C(N)=O)c(Br)nc12 |r| Show InChI InChI=1S/C16H20BrN5O6/c1-5(2)16(26)27-3-6-9(23)10(24)15(28-6)22-4-20-12(18)8-7(13(19)25)11(17)21-14(8)22/h4-6,9-10,15,23-24H,3,18H2,1-2H3,(H2,19,25)/t6-,9+,10-,15+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50367955 (CHEMBL4174716) Show SMILES Cn1cc(cn1)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)S(C)(=O)=O |r,wU:13.14,wD:16.21,(31.03,-25.96,;29.49,-26.06,;28.51,-24.88,;27.08,-25.45,;27.17,-26.98,;28.67,-27.36,;25.77,-24.62,;25.84,-23.08,;24.54,-22.26,;23.17,-22.98,;23.11,-24.52,;24.41,-25.34,;21.86,-22.15,;20.54,-22.94,;20.56,-24.48,;19.23,-25.27,;17.89,-24.52,;17.87,-22.98,;19.19,-22.19,;16.57,-25.3,;15.22,-24.55,;13.9,-25.34,;12.55,-24.58,;12.53,-23.04,;13.86,-22.26,;15.2,-23.01,;11.19,-22.29,;9.84,-21.53,;21.93,-20.61,;23.25,-19.82,;20.58,-19.86,;21.53,-19.11,)| Show InChI InChI=1S/C23H26N6O2S/c1-28-16-19(15-26-28)18-4-8-21(9-5-18)29(32(2,30)31)22-10-6-20(7-11-22)27-23-12-3-17(13-24)14-25-23/h3-5,8-9,12,14-16,20,22H,6-7,10-11H2,1-2H3,(H,25,27)/t20-,22-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50279273 (CHEMBL4160980) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1cccc(OCCOCCOCCNC(=O)C2CCN(C2)c2ncc(cc2-c2ccn[nH]2)C(=O)Nc2ccc(OC(F)(F)Cl)cc2)c1 |r| Show InChI InChI=1S/C53H63ClF2N10O9S/c1-33(57-2)48(68)63-45(34-8-4-3-5-9-34)52(71)66-21-7-12-44(66)51-62-43(32-76-51)46(67)35-10-6-11-40(28-35)74-27-26-73-25-24-72-23-20-58-49(69)36-18-22-65(31-36)47-41(42-17-19-60-64-42)29-37(30-59-47)50(70)61-38-13-15-39(16-14-38)75-53(54,55)56/h6,10-11,13-17,19,28-30,32-34,36,44-45,57H,3-5,7-9,12,18,20-27,31H2,1-2H3,(H,58,69)(H,60,64)(H,61,70)(H,63,68)/t33-,36?,44-,45-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged XIAP (Asn252 to Thr356 residues) expressed in Escherichia coli by TR-FRET assay				ACS Med Chem Lett 8: 1042-1047 (2017) Article DOI: 10.1021/acsmedchemlett.7b00247 BindingDB Entry DOI: 10.7270/Q2XG9TNP
					More data for this Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| 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 UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of GST-tagged human GST-tagged CDK7/CycH/MAT1 (04 to 108 residues) using kinase tracer 236 probe incubated for 60 mins by TR-FRET assay				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50367919 (CHEMBL4159594) Show SMILES CC(=O)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1 |r,wU:4.3,wD:7.10,(23.25,-19.82,;21.93,-20.61,;20.58,-19.86,;21.86,-22.15,;20.54,-22.94,;20.56,-24.48,;19.23,-25.27,;17.89,-24.52,;17.87,-22.98,;19.19,-22.19,;16.57,-25.3,;15.22,-24.55,;13.9,-25.34,;12.55,-24.58,;12.53,-23.04,;13.86,-22.26,;15.2,-23.01,;11.19,-22.29,;9.84,-21.53,;23.17,-22.98,;24.54,-22.26,;25.84,-23.08,;25.77,-24.62,;24.41,-25.34,;23.11,-24.52,;27.08,-25.45,;27.17,-26.98,;28.67,-27.36,;29.49,-26.06,;31.03,-25.96,;28.51,-24.88,)| Show InChI InChI=1S/C24H26N6O/c1-17(31)30(22-8-4-19(5-9-22)20-15-27-29(2)16-20)23-10-6-21(7-11-23)28-24-12-3-18(13-25)14-26-24/h3-5,8-9,12,14-16,21,23H,6-7,10-11H2,1-2H3,(H,26,28)/t21-,23-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50279273 (CHEMBL4160980) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1cccc(OCCOCCOCCNC(=O)C2CCN(C2)c2ncc(cc2-c2ccn[nH]2)C(=O)Nc2ccc(OC(F)(F)Cl)cc2)c1 |r| Show InChI InChI=1S/C53H63ClF2N10O9S/c1-33(57-2)48(68)63-45(34-8-4-3-5-9-34)52(71)66-21-7-12-44(66)51-62-43(32-76-51)46(67)35-10-6-11-40(28-35)74-27-26-73-25-24-72-23-20-58-49(69)36-18-22-65(31-36)47-41(42-17-19-60-64-42)29-37(30-59-47)50(70)61-38-13-15-39(16-14-38)75-53(54,55)56/h6,10-11,13-17,19,28-30,32-34,36,44-45,57H,3-5,7-9,12,18,20-27,31H2,1-2H3,(H,58,69)(H,60,64)(H,61,70)(H,63,68)/t33-,36?,44-,45-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged cIAP2 (Gln238 to Ser349 residues) expressed in Escherichia coli by TR-FRET assay				ACS Med Chem Lett 8: 1042-1047 (2017) Article DOI: 10.1021/acsmedchemlett.7b00247 BindingDB Entry DOI: 10.7270/Q2XG9TNP
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50242326 (CHEMBL4100766) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O)C(C)C)C(N)=O)NC(C)=O |r| Show InChI InChI=1S/C60H86N12O17S2/c1-8-32(6)49-58(87)67-42(27-73)54(83)64-39(24-34-13-17-36(75)18-14-34)52(81)66-41(26-47(77)78)59(88)71-21-10-12-46(71)56(85)69-48(31(4)5)57(86)68-43(50(61)79)28-90-91-29-44(62-33(7)74)60(89)72-22-9-11-45(72)55(84)65-38(23-30(2)3)51(80)63-40(53(82)70-49)25-35-15-19-37(76)20-16-35/h13-20,30-32,38-46,48-49,73,75-76H,8-12,21-29H2,1-7H3,(H2,61,79)(H,62,74)(H,63,80)(H,64,83)(H,65,84)(H,66,81)(H,67,87)(H,68,86)(H,69,85)(H,70,82)(H,77,78)/t32-,38-,39-,40-,41-,42-,43-,44-,45-,46-,48-,49-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	142	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of biotinylated wild-type K-Ras (unknown origin) assessed as inhibition of human SOS1 (564 to 1049 residues)-mediated BODIPY-GDP-GTP excha...				Bioorg Med Chem Lett 27: 2757-2761 (2017) Article DOI: 10.1016/j.bmcl.2017.04.063 BindingDB Entry DOI: 10.7270/Q2FF3VSX
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50367840 (CHEMBL4162954) Show SMILES Cn1cc(cn1)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)CCc1ccccc1 |r,wU:13.14,wD:16.21,(33.38,-26.71,;31.84,-26.8,;30.86,-25.61,;29.43,-26.18,;29.52,-27.71,;31.01,-28.09,;28.14,-25.34,;28.21,-23.81,;26.91,-22.98,;25.54,-23.69,;25.48,-25.23,;26.77,-26.05,;24.24,-22.86,;22.92,-23.64,;22.93,-25.18,;21.6,-25.96,;20.26,-25.2,;20.25,-23.66,;21.58,-22.88,;18.94,-25.98,;17.6,-25.22,;16.28,-26,;14.94,-25.24,;14.93,-23.7,;16.25,-22.92,;17.59,-23.68,;13.59,-22.94,;12.25,-22.18,;24.31,-21.33,;25.64,-20.55,;22.97,-20.56,;21.65,-21.34,;20.3,-20.58,;20.29,-19.03,;18.94,-18.27,;17.61,-19.06,;17.62,-20.61,;18.97,-21.37,)| Show InChI InChI=1S/C17H19N9O4S/c18-12-9-14(21-4-20-12)26(5-22-9)16-11(28)10(27)8(30-16)3-31-2-6-1-7-13(23-6)24-17(19)25-15(7)29/h1,4-5,8,10-11,16,27-28H,2-3H2,(H2,18,20,21)(H4,19,23,24,25,29)/t8-,10-,11-,16?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50367676 (CHEMBL4160662) Show SMILES Cn1cc(ccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(17.35,-24.38,;18.11,-25.71,;19.66,-25.71,;20.43,-27.05,;19.66,-28.38,;18.11,-28.38,;17.35,-27.05,;15.8,-27.05,;21.97,-27.05,;22.74,-28.38,;24.28,-28.38,;25.05,-27.05,;24.28,-25.71,;22.74,-25.71,;26.6,-27.05,;27.37,-25.71,;26.6,-24.38,;27.37,-23.04,;28.91,-23.04,;29.68,-24.38,;28.91,-25.71,;29.68,-21.71,;31.22,-21.71,;31.99,-20.37,;33.54,-20.37,;34.3,-21.71,;33.54,-23.04,;31.99,-23.04,;35.85,-21.71,;37.39,-21.71,;27.37,-28.38,;26.6,-29.71,;28.91,-28.38,;29.68,-29.71,;31.22,-29.71,;31.99,-28.38,;33.54,-28.38,;34.3,-29.71,;33.54,-31.05,;31.99,-31.05,)| Show InChI InChI=1S/C32H32N6O2/c1-37-22-26(10-18-31(37)39)25-8-13-28(14-9-25)38(32(40)35-20-23-5-3-2-4-6-23)29-15-11-27(12-16-29)36-30-17-7-24(19-33)21-34-30/h2-10,13-14,17-18,21-22,27,29H,11-12,15-16,20H2,1H3,(H,34,36)(H,35,40)/t27-,29-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of CDK12 in human SK-BR-3 cells assessed as reduction in RNA polymerase 2 Ser2 phosphorylation incubated for 4 hrs by				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50367856 (CHEMBL4166407) Show SMILES COC(=O)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1 |r,wU:5.4,wD:8.11,(21.69,-21.38,;23.01,-20.6,;24.35,-21.36,;25.68,-20.58,;24.28,-22.9,;22.96,-23.68,;22.97,-25.22,;21.64,-26,;20.3,-25.24,;20.29,-23.7,;21.62,-22.92,;18.97,-26.02,;17.63,-25.26,;16.31,-26.04,;14.96,-25.28,;14.95,-23.74,;16.28,-22.96,;17.62,-23.72,;13.61,-22.98,;12.27,-22.22,;25.59,-23.73,;26.96,-23.02,;28.26,-23.85,;28.19,-25.39,;26.81,-26.1,;25.52,-25.27,;29.48,-26.22,;29.57,-27.75,;31.07,-28.14,;31.89,-26.85,;33.44,-26.75,;30.92,-25.66,)| Show InChI InChI=1S/C24H26N6O2/c1-29-16-19(15-27-29)18-4-8-21(9-5-18)30(24(31)32-2)22-10-6-20(7-11-22)28-23-12-3-17(13-25)14-26-23/h3-5,8-9,12,14-16,20,22H,6-7,10-11H2,1-2H3,(H,26,28)/t20-,22-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50242332 (CHEMBL4083770) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r| Show InChI InChI=1S/C106H180N44O25S2/c1-9-54(6)79-97(174)145-73(49-151)93(170)142-70(46-57-28-32-59(153)33-29-57)91(168)143-72(48-77(155)156)89(166)132-55(7)81(158)148-78(53(4)5)96(173)146-74(94(171)140-67(25-16-42-130-105(120)121)87(164)138-65(23-14-40-128-103(116)117)85(162)136-63(21-12-38-126-101(112)113)83(160)134-61(80(107)157)19-10-36-124-99(108)109)50-176-177-51-75(98(175)150-44-18-27-76(150)95(172)144-69(45-52(2)3)90(167)141-71(92(169)149-79)47-58-30-34-60(154)35-31-58)147-88(165)68(26-17-43-131-106(122)123)139-86(163)66(24-15-41-129-104(118)119)137-84(161)64(22-13-39-127-102(114)115)135-82(159)62(133-56(8)152)20-11-37-125-100(110)111/h28-35,52-55,61-76,78-79,151,153-154H,9-27,36-51H2,1-8H3,(H2,107,157)(H,132,166)(H,133,152)(H,134,160)(H,135,159)(H,136,162)(H,137,161)(H,138,164)(H,139,163)(H,140,171)(H,141,167)(H,142,170)(H,143,168)(H,144,172)(H,145,174)(H,146,173)(H,147,165)(H,148,158)(H,149,169)(H,155,156)(H4,108,109,124)(H4,110,111,125)(H4,112,113,126)(H4,114,115,127)(H4,116,117,128)(H4,118,119,129)(H4,120,121,130)(H4,122,123,131)/t54-,55-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,78-,79-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	216	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of biotinylated wild-type K-Ras (unknown origin) assessed as inhibition of human SOS1 (564 to 1049 residues)-mediated BODIPY-GDP-GTP excha...				Bioorg Med Chem Lett 27: 2757-2761 (2017) Article DOI: 10.1016/j.bmcl.2017.04.063 BindingDB Entry DOI: 10.7270/Q2FF3VSX
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50367682 (CHEMBL4162128) Show SMILES CC(C)C(=O)OC[C@@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cnc(N)c2c(C(N)=O)c(Br)nc12 |r| Show InChI InChI=1S/C16H20BrN5O6/c1-5(2)16(26)27-3-6-9(23)10(24)15(28-6)22-4-20-12(18)8-7(13(19)25)11(17)21-14(8)22/h4-6,9-10,15,23-24H,3,18H2,1-2H3,(H2,19,25)/t6-,9+,10-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of GST-tagged human CDK9/CycT1 (04 to 110 residues) assessed as reduction in ATP-dependent ULight-4E-BP1 (Thr37/Thr46) substrate peptide p...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50279274 (CHEMBL4172268) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1cccc(OCCOCCOCCNC(=O)c2cccc(c2)-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1 |r| Show InChI InChI=1S/C50H57F3N8O8S/c1-32(54-2)46(63)60-44(33-9-4-3-5-10-33)49(65)61-21-8-15-42(61)48-59-41(30-70-48)45(62)35-12-7-14-39(28-35)68-26-25-67-24-23-66-22-20-55-47(64)36-13-6-11-34(27-36)40-29-43(57-31-56-40)58-37-16-18-38(19-17-37)69-50(51,52)53/h6-7,11-14,16-19,27-33,42,44,54H,3-5,8-10,15,20-26H2,1-2H3,(H,55,64)(H,60,63)(H,56,57,58)/t32-,42-,44-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral viral infection of MT-4 cells				ACS Med Chem Lett 8: 1042-1047 (2017) Article DOI: 10.1021/acsmedchemlett.7b00247 BindingDB Entry DOI: 10.7270/Q2XG9TNP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50367854 (CHEMBL4164483) Show SMILES Cn1cccc(-c2ccc(cc2)N([C@H]2CC[C@@H](CC2)Nc2ccc(cn2)C#N)C(=O)NCc2ccccc2)c1=O |r,wU:13.13,wD:16.20,(21.82,-25.31,;22.6,-26.64,;21.82,-27.98,;22.6,-29.31,;24.13,-29.31,;24.91,-27.98,;26.45,-27.98,;27.22,-29.31,;28.76,-29.31,;29.53,-27.98,;28.76,-26.64,;27.22,-26.64,;31.08,-27.98,;31.85,-26.64,;31.08,-25.31,;31.85,-23.97,;33.39,-23.97,;34.16,-25.31,;33.39,-26.64,;34.16,-22.64,;35.7,-22.64,;36.47,-21.3,;38.02,-21.3,;38.79,-22.64,;38.02,-23.97,;36.47,-23.97,;40.33,-22.64,;41.87,-22.64,;31.85,-29.31,;31.08,-30.65,;33.39,-29.31,;34.16,-30.65,;35.7,-30.65,;36.47,-29.31,;38.02,-29.31,;38.79,-30.65,;38.02,-31.98,;36.47,-31.98,;24.13,-26.64,;24.91,-25.31,)| Show InChI InChI=1S/C32H32N6O2/c1-37-19-5-8-29(31(37)39)25-10-14-27(15-11-25)38(32(40)35-21-23-6-3-2-4-7-23)28-16-12-26(13-17-28)36-30-18-9-24(20-33)22-34-30/h2-11,14-15,18-19,22,26,28H,12-13,16-17,21H2,1H3,(H,34,36)(H,35,40)/t26-,28-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50367682 (CHEMBL4162128) Show SMILES CC(C)C(=O)OC[C@@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cnc(N)c2c(C(N)=O)c(Br)nc12 |r| Show InChI InChI=1S/C16H20BrN5O6/c1-5(2)16(26)27-3-6-9(23)10(24)15(28-6)22-4-20-12(18)8-7(13(19)25)11(17)21-14(8)22/h4-6,9-10,15,23-24H,3,18H2,1-2H3,(H2,19,25)/t6-,9+,10-,15+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	259	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of CDK12 in human SK-BR-3 cells assessed as reduction in RNA polymerase 2 Ser2 phosphorylation incubated for 4 hrs by				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50367679 (CHEMBL4164064) Show SMILES Cn1c(cccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(12.97,-30.07,;12.2,-31.41,;12.97,-32.74,;12.2,-34.08,;10.66,-34.08,;9.88,-32.74,;10.66,-31.41,;9.88,-30.07,;14.51,-32.74,;15.28,-34.08,;16.83,-34.08,;17.59,-32.74,;16.83,-31.41,;15.28,-31.41,;19.14,-32.74,;19.91,-31.41,;19.14,-30.07,;19.91,-28.74,;21.45,-28.74,;22.22,-30.07,;21.45,-31.41,;22.22,-27.4,;23.76,-27.4,;24.53,-26.07,;26.08,-26.07,;26.85,-27.4,;26.08,-28.74,;24.53,-28.74,;28.39,-27.4,;29.93,-27.4,;19.91,-34.08,;19.14,-35.41,;21.45,-34.08,;22.22,-35.41,;23.76,-35.41,;24.53,-34.08,;26.08,-34.08,;26.85,-35.41,;26.08,-36.75,;24.53,-36.75,)| Show InChI InChI=1S/C32H32N6O2/c1-37-29(8-5-9-31(37)39)25-11-15-27(16-12-25)38(32(40)35-21-23-6-3-2-4-7-23)28-17-13-26(14-18-28)36-30-19-10-24(20-33)22-34-30/h2-12,15-16,19,22,26,28H,13-14,17-18,21H2,1H3,(H,34,36)(H,35,40)/t26-,28-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged human full-length CDK12 (1 to 1490 residues)/N-terminal His-tagged CycK (1 to 580 residues) expressed in Sf9 cel...				J Med Chem 61: 7710-7728 (2018) Article DOI: 10.1021/acs.jmedchem.8b00683 BindingDB Entry DOI: 10.7270/Q2HX1G6F
					More data for this Ligand-Target Pair

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