Compile Data Set for Download or QSAR

Found 437 hits with Last Name = 'stegmaier' and Initial = 'k'   

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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50526216 (CHEMBL4553725) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(NS(=O)(=O)C=C)cc23)c1C Show InChI InChI=1S/C24H31N5O4S/c1-6-29(7-2)12-11-25-24(31)22-15(4)21(26-16(22)5)14-19-18-13-17(28-34(32,33)8-3)9-10-20(18)27-23(19)30/h8-10,13-14,26,28H,3,6-7,11-12H2,1-2,4-5H3,(H,25,31)(H,27,30)/b19-14-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Irreversible inhibition of recombinant human FLT3 D835Y mutant (571 to 993 residues) expressed in baculovirus expression system preincubated for 5 to...				J Med Chem 62: 2428-2446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01714 BindingDB Entry DOI: 10.7270/Q26113R9
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50526217 (CHEMBL4442997) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(NC(=O)CCl)cc23)c1C Show InChI InChI=1S/C24H30ClN5O3/c1-5-30(6-2)10-9-26-24(33)22-14(3)20(27-15(22)4)12-18-17-11-16(28-21(31)13-25)7-8-19(17)29-23(18)32/h7-8,11-12,27H,5-6,9-10,13H2,1-4H3,(H,26,33)(H,28,31)(H,29,32)/b18-12-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Irreversible inhibition of recombinant human FLT3 D835Y mutant (571 to 993 residues) expressed in baculovirus expression system preincubated for 5 to...				J Med Chem 62: 2428-2446 (2019) Article DOI: 10.1021/acs.jmedchem.8b01714 BindingDB Entry DOI: 10.7270/Q26113R9
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM188514 (4,7,7-trimethyl-4-phenyl-3-(trifluoromethyl)-2,4,6...) Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1[C@]2(C)c1ccccc1)C(F)(F)F |r,c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.5	25
Harvard Medical School					Assay Description Purified GSK3beta was incubated with tested compounds in doses in the presence of 4.3 uM of ATP and 1.5uM peptide substrate (Peptide 15, Caliper, MA)...				ACS Chem Biol 11: 1952-63 (2016) Article DOI: 10.1021/acschembio.6b00306 BindingDB Entry DOI: 10.7270/Q20000W8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM188512 ((R)-4-(2-methoxyphenyl)-7,7-dimethyl-3-(trifluorom...) Show SMILES COc1ccccc1[C@H]1c2c(NC3=C1C(=O)CC(C)(C)C3)n[nH]c2C(F)(F)F |r,c:13| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	25
Harvard Medical School					Assay Description Purified GSK3beta was incubated with tested compounds in doses in the presence of 4.3 uM of ATP and 1.5uM peptide substrate (Peptide 15, Caliper, MA)...				ACS Chem Biol 11: 1952-63 (2016) Article DOI: 10.1021/acschembio.6b00306 BindingDB Entry DOI: 10.7270/Q20000W8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM188514 (4,7,7-trimethyl-4-phenyl-3-(trifluoromethyl)-2,4,6...) Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(c1[C@]2(C)c1ccccc1)C(F)(F)F |r,c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	25
Harvard Medical School					Assay Description Purified GSK3beta was incubated with tested compounds in doses in the presence of 4.3 uM of ATP and 1.5uM peptide substrate (Peptide 15, Caliper, MA)...				ACS Chem Biol 11: 1952-63 (2016) Article DOI: 10.1021/acschembio.6b00306 BindingDB Entry DOI: 10.7270/Q20000W8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM188515 ((S)-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,4,6,7...) Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(C3CC3)c1[C@]2(C)c1ccccc1 |r,c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	25
Harvard Medical School					Assay Description Purified GSK3beta was incubated with tested compounds in doses in the presence of 4.3 uM of ATP and 1.5uM peptide substrate (Peptide 15, Caliper, MA)...				ACS Chem Biol 11: 1952-63 (2016) Article DOI: 10.1021/acschembio.6b00306 BindingDB Entry DOI: 10.7270/Q20000W8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM188511 ((S)-3,7,7-Trimethyl-4-(2-(trifluoromethyl)phenyl)-...) Show SMILES Cc1[nH]nc2NC3=C([C@H](c12)c1ccccc1C(F)(F)F)C(=O)CC(C)(C)C3 |r,c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	7.5	25
Harvard Medical School					Assay Description Purified GSK3beta was incubated with tested compounds in doses in the presence of 4.3 uM of ATP and 1.5uM peptide substrate (Peptide 15, Caliper, MA)...				ACS Chem Biol 11: 1952-63 (2016) Article DOI: 10.1021/acschembio.6b00306 BindingDB Entry DOI: 10.7270/Q20000W8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM60933 ((S)-3,4,7,7-tetramethyl-4-phenyl-2,4,6,7,8,9-hexah...) Show SMILES Cc1[nH]nc2NC3=C(C(=O)CC(C)(C)C3)[C@](C)(c12)c1ccccc1 |r,t:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.5	25
Harvard Medical School					Assay Description Purified GSK3beta was incubated with tested compounds in doses in the presence of 4.3 uM of ATP and 1.5uM peptide substrate (Peptide 15, Caliper, MA)...				ACS Chem Biol 11: 1952-63 (2016) Article DOI: 10.1021/acschembio.6b00306 BindingDB Entry DOI: 10.7270/Q20000W8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM188512 ((R)-4-(2-methoxyphenyl)-7,7-dimethyl-3-(trifluorom...) Show SMILES COc1ccccc1[C@H]1c2c(NC3=C1C(=O)CC(C)(C)C3)n[nH]c2C(F)(F)F |r,c:13| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	25
Harvard Medical School					Assay Description Purified GSK3beta was incubated with tested compounds in doses in the presence of 4.3 uM of ATP and 1.5uM peptide substrate (Peptide 15, Caliper, MA)...				ACS Chem Biol 11: 1952-63 (2016) Article DOI: 10.1021/acschembio.6b00306 BindingDB Entry DOI: 10.7270/Q20000W8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM188511 ((S)-3,7,7-Trimethyl-4-(2-(trifluoromethyl)phenyl)-...) Show SMILES Cc1[nH]nc2NC3=C([C@H](c12)c1ccccc1C(F)(F)F)C(=O)CC(C)(C)C3 |r,c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.5	25
Harvard Medical School					Assay Description Purified GSK3beta was incubated with tested compounds in doses in the presence of 4.3 uM of ATP and 1.5uM peptide substrate (Peptide 15, Caliper, MA)...				ACS Chem Biol 11: 1952-63 (2016) Article DOI: 10.1021/acschembio.6b00306 BindingDB Entry DOI: 10.7270/Q20000W8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM173197 (US10137122, Compound 53 | US9096594, 54) Show SMILES COc1ccccc1C1c2c(NC3=C1C(=O)CC(C)(C)C3)n[nH]c2C(F)(F)F |c:13| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	25
The Broad Institute, Inc.; The General Hospital Corporation; Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The GSK3beta primary screen was conducted in assay ready 1536 plates (Aurora 29847) that contain 2.5 mL/well of 10 mM compound. Human GSK3beta as a G...				US Patent US9096594 (2015) BindingDB Entry DOI: 10.7270/Q21Z435K
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM173197 (US10137122, Compound 53 | US9096594, 54) Show SMILES COc1ccccc1C1c2c(NC3=C1C(=O)CC(C)(C)C3)n[nH]c2C(F)(F)F |c:13| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	25
The Broad Institute, Inc.; The General Hospital Corporation; Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The GSK3beta primary screen was conducted in assay ready 1536 plates (Aurora 29847) that contain 2.5 mL/well of 10 mM compound. Human GSK3beta as a G...				US Patent US9096594 (2015) BindingDB Entry DOI: 10.7270/Q21Z435K
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50573506 (CHEMBL4861833) Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK9/Cyclin T1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113481 BindingDB Entry DOI: 10.7270/Q22B92TP
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM188505 (4-(2-fluorophenyl)-3,7,7-trimethyl-2,4,6,7,8,9-hex...) Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1ccccc1F)C(=O)CC(C)(C)C3 |c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.5	25
Harvard Medical School					Assay Description Purified GSK3beta was incubated with tested compounds in doses in the presence of 4.3 uM of ATP and 1.5uM peptide substrate (Peptide 15, Caliper, MA)...				ACS Chem Biol 11: 1952-63 (2016) Article DOI: 10.1021/acschembio.6b00306 BindingDB Entry DOI: 10.7270/Q20000W8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM188515 ((S)-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,4,6,7...) Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(C3CC3)c1[C@]2(C)c1ccccc1 |r,c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	7.5	25
Harvard Medical School					Assay Description Purified GSK3beta was incubated with tested compounds in doses in the presence of 4.3 uM of ATP and 1.5uM peptide substrate (Peptide 15, Caliper, MA)...				ACS Chem Biol 11: 1952-63 (2016) Article DOI: 10.1021/acschembio.6b00306 BindingDB Entry DOI: 10.7270/Q20000W8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM60933 ((S)-3,4,7,7-tetramethyl-4-phenyl-2,4,6,7,8,9-hexah...) Show SMILES Cc1[nH]nc2NC3=C(C(=O)CC(C)(C)C3)[C@](C)(c12)c1ccccc1 |r,t:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	7.5	25
Harvard Medical School					Assay Description Purified GSK3beta was incubated with tested compounds in doses in the presence of 4.3 uM of ATP and 1.5uM peptide substrate (Peptide 15, Caliper, MA)...				ACS Chem Biol 11: 1952-63 (2016) Article DOI: 10.1021/acschembio.6b00306 BindingDB Entry DOI: 10.7270/Q20000W8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM172196 (US9090564, 10 | US9096594, 22) Show SMILES Cc1nccc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C24H21ClN4O2/c1-16-19(5-2-17-3-7-23(26)28-15-17)20(8-9-27-16)18-4-6-21(22(25)14-18)24(30)29-10-12-31-13-11-29/h3-4,6-9,14-15H,10-13H2,1H3,(H2,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	25
The Broad Institute, Inc.; The General Hospital Corporation; Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The GSK3beta primary screen was conducted in assay ready 1536 plates (Aurora 29847) that contain 2.5 mL/well of 10 mM compound. Human GSK3beta as a G...				US Patent US9096594 (2015) BindingDB Entry DOI: 10.7270/Q21Z435K
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM188509 (BRD3937 | US10137122, Compound 22) Show SMILES COc1ccccc1[C@H]1c2c(C)[nH]nc2NC2=C1C(=O)CC(C)(C)C2 |r,c:18| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	7.5	25
Harvard Medical School					Assay Description Purified GSK3beta was incubated with tested compounds in doses in the presence of 4.3 uM of ATP and 1.5uM peptide substrate (Peptide 15, Caliper, MA)...				ACS Chem Biol 11: 1952-63 (2016) Article DOI: 10.1021/acschembio.6b00306 BindingDB Entry DOI: 10.7270/Q20000W8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM188508 (3,7,7-Trimethyl-4-(o-tolyl)-2,4,6,7,8,9-hexahydro-...) Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1ccccc1C)C(=O)CC(C)(C)C3 |c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	7.5	25
Harvard Medical School					Assay Description Purified GSK3beta was incubated with tested compounds in doses in the presence of 4.3 uM of ATP and 1.5uM peptide substrate (Peptide 15, Caliper, MA)...				ACS Chem Biol 11: 1952-63 (2016) Article DOI: 10.1021/acschembio.6b00306 BindingDB Entry DOI: 10.7270/Q20000W8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50573512 (CHEMBL4748005) Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(nc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant CDK12/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113481 BindingDB Entry DOI: 10.7270/Q22B92TP
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM173196 (4-(2-methoxyphenyl)-3,7,7-trimethyl-2,4,6,7,8,9-he...) Show SMILES COc1ccccc1C1c2c(C)[nH]nc2NC2=C1C(=O)CC(C)(C)C2 |c:18| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	7.5	25
Harvard Medical School					Assay Description Purified GSK3beta was incubated with tested compounds in doses in the presence of 4.3 uM of ATP and 1.5uM peptide substrate (Peptide 15, Caliper, MA)...				ACS Chem Biol 11: 1952-63 (2016) Article DOI: 10.1021/acschembio.6b00306 BindingDB Entry DOI: 10.7270/Q20000W8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50133388 (CHEMBL3632824) Show SMILES NC(=O)c1cc(F)ccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C24H18FN3O4S/c25-17-6-7-18(19(12-17)22(26)29)15-3-1-14(2-4-15)13-33-24-28-27-23(32-24)16-5-8-20-21(11-16)31-10-9-30-20/h1-8,11-12H,9-10,13H2,(H2,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK-3 alpha using Ulight-CFFKNIVTPRTPPPSQGK-amide substrate incubated for 60 mins by LANCE method relative to control				J Med Chem 58: 8907-19 (2015) Article DOI: 10.1021/acs.jmedchem.5b01200 BindingDB Entry DOI: 10.7270/Q2K64KW5
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50573506 (CHEMBL4861833) Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK2/Cyclin A (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113481 BindingDB Entry DOI: 10.7270/Q22B92TP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 13/Cyclin-K (Homo sapiens (Human))	BDBM50573506 (CHEMBL4861833) Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant CDK13/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113481 BindingDB Entry DOI: 10.7270/Q22B92TP
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM173196 (4-(2-methoxyphenyl)-3,7,7-trimethyl-2,4,6,7,8,9-he...) Show SMILES COc1ccccc1C1c2c(C)[nH]nc2NC2=C1C(=O)CC(C)(C)C2 |c:18| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	7.5	25
Harvard Medical School					Assay Description Purified GSK3beta was incubated with tested compounds in doses in the presence of 4.3 uM of ATP and 1.5uM peptide substrate (Peptide 15, Caliper, MA)...				ACS Chem Biol 11: 1952-63 (2016) Article DOI: 10.1021/acschembio.6b00306 BindingDB Entry DOI: 10.7270/Q20000W8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM188509 (BRD3937 | US10137122, Compound 22) Show SMILES COc1ccccc1[C@H]1c2c(C)[nH]nc2NC2=C1C(=O)CC(C)(C)C2 |r,c:18| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	7.5	25
Harvard Medical School					Assay Description Purified GSK3beta was incubated with tested compounds in doses in the presence of 4.3 uM of ATP and 1.5uM peptide substrate (Peptide 15, Caliper, MA)...				ACS Chem Biol 11: 1952-63 (2016) Article DOI: 10.1021/acschembio.6b00306 BindingDB Entry DOI: 10.7270/Q20000W8
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM173196 (4-(2-methoxyphenyl)-3,7,7-trimethyl-2,4,6,7,8,9-he...) Show SMILES COc1ccccc1C1c2c(C)[nH]nc2NC2=C1C(=O)CC(C)(C)C2 |c:18| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	25
The Broad Institute, Inc.; The General Hospital Corporation; Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The GSK3beta primary screen was conducted in assay ready 1536 plates (Aurora 29847) that contain 2.5 mL/well of 10 mM compound. Human GSK3beta as a G...				US Patent US9096594 (2015) BindingDB Entry DOI: 10.7270/Q21Z435K
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM188506 (4-(3-fluorophenyl)-3,7,7-trimethyl-2,4,6,7,8,9-hex...) Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1cccc(F)c1)C(=O)CC(C)(C)C3 |c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	7.5	25
Harvard Medical School					Assay Description Purified GSK3beta was incubated with tested compounds in doses in the presence of 4.3 uM of ATP and 1.5uM peptide substrate (Peptide 15, Caliper, MA)...				ACS Chem Biol 11: 1952-63 (2016) Article DOI: 10.1021/acschembio.6b00306 BindingDB Entry DOI: 10.7270/Q20000W8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50573513 (CHEMBL4866757) Show SMILES C\C=C\C(=O)Nc1ccc(nc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant CDK12/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113481 BindingDB Entry DOI: 10.7270/Q22B92TP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50573506 (CHEMBL4861833) Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant CDK12/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113481 BindingDB Entry DOI: 10.7270/Q22B92TP
					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50573510 (CHEMBL4866812) Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK7/Cyclin H (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113481 BindingDB Entry DOI: 10.7270/Q22B92TP
					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50573512 (CHEMBL4748005) Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(nc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK7/Cyclin H (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113481 BindingDB Entry DOI: 10.7270/Q22B92TP
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM188505 (4-(2-fluorophenyl)-3,7,7-trimethyl-2,4,6,7,8,9-hex...) Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1ccccc1F)C(=O)CC(C)(C)C3 |c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	7.5	25
Harvard Medical School					Assay Description Purified GSK3beta was incubated with tested compounds in doses in the presence of 4.3 uM of ATP and 1.5uM peptide substrate (Peptide 15, Caliper, MA)...				ACS Chem Biol 11: 1952-63 (2016) Article DOI: 10.1021/acschembio.6b00306 BindingDB Entry DOI: 10.7270/Q20000W8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50573515 (CHEMBL4853887) Show SMILES C\C=C\C(=O)Nc1ccc(N2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant CDK12/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113481 BindingDB Entry DOI: 10.7270/Q22B92TP
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50573512 (CHEMBL4748005) Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(nc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK9/Cyclin T1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113481 BindingDB Entry DOI: 10.7270/Q22B92TP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 12 (Homo sapiens)	BDBM50573511 (CHEMBL4864697) Show SMILES C\C=C\C(=O)Nc1ccc(cc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant CDK12/CyclinK assessed as reduction in substrate phosphorylation using His-c-Myc as substrate preincubated with enzym...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113481 BindingDB Entry DOI: 10.7270/Q22B92TP
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM303214 (US10137122, Compound 93) Show SMILES Cc1[nH]nc2NC3=C(C(=O)CC(C)(C)C3)[C@](c12)(c1ccccc1)C(F)(F)F |r,t:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation US Patent					Assay Description A solution of 4× inhibitor (5 μL), 4× substrate/ATP-Metal solution (5 μL), and 2× Kinase solution (10 μL) was prepared with assay buff...				US Patent US10137122 (2018) BindingDB Entry DOI: 10.7270/Q2DJ5HPX
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM188498 (3,7,7-trimethyl-4-phenyl-2,4,6,7,8,9-hexahydro-5H-...) Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1ccccc1)C(=O)CC(C)(C)C3 |c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation US Patent					Assay Description A solution of 4× inhibitor (5 μL), 4× substrate/ATP-Metal solution (5 μL), and 2× Kinase solution (10 μL) was prepared with assay buff...				US Patent US10137122 (2018) BindingDB Entry DOI: 10.7270/Q2DJ5HPX
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM188506 (4-(3-fluorophenyl)-3,7,7-trimethyl-2,4,6,7,8,9-hex...) Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1cccc(F)c1)C(=O)CC(C)(C)C3 |c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation US Patent					Assay Description A solution of 4× inhibitor (5 μL), 4× substrate/ATP-Metal solution (5 μL), and 2× Kinase solution (10 μL) was prepared with assay buff...				US Patent US10137122 (2018) BindingDB Entry DOI: 10.7270/Q2DJ5HPX
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM303141 (US10137122, Compound 13) Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1ccccc1Cl)C(=O)CC(C)(C)C3 |$;;;;;N;;;;;;;;;;;;;;;;;;$,c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation US Patent					Assay Description A solution of 4× inhibitor (5 μL), 4× substrate/ATP-Metal solution (5 μL), and 2× Kinase solution (10 μL) was prepared with assay buff...				US Patent US10137122 (2018) BindingDB Entry DOI: 10.7270/Q2DJ5HPX
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM303141 (US10137122, Compound 13) Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1ccccc1Cl)C(=O)CC(C)(C)C3 |$;;;;;N;;;;;;;;;;;;;;;;;;$,c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation US Patent					Assay Description 20 μL/well of 4.7 nM GSK3β and 7 μM peptide in KBA (250 mM HEPES (pH 7.5), 50 mM MgCl2, 5 mM EGTA, 0.05% BRIJ-35) were dispensed onto ...				US Patent US10137122 (2018) BindingDB Entry DOI: 10.7270/Q2DJ5HPX
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM303226 (US10137122, Compound 104) Show SMILES COC(=O)c1[nH]nc2NC3=C(C(=O)CC(C)(C)C3)C(C)(c12)c1ccccc1 |t:9| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation US Patent					Assay Description A solution of 4× inhibitor (5 μL), 4× substrate/ATP-Metal solution (5 μL), and 2× Kinase solution (10 μL) was prepared with assay buff...				US Patent US10137122 (2018) BindingDB Entry DOI: 10.7270/Q2DJ5HPX
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM303232 (US10137122, Compound 110) Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(Cl)c1C2(C)c1ccccc1 |$;;;;;;;;;N;;;;;;;;;;;;;;$,c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation US Patent					Assay Description A solution of 4× inhibitor (5 μL), 4× substrate/ATP-Metal solution (5 μL), and 2× Kinase solution (10 μL) was prepared with assay buff...				US Patent US10137122 (2018) BindingDB Entry DOI: 10.7270/Q2DJ5HPX
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM303233 (US10137122, Compound 111) Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(Br)c1C2(C)c1ccccc1 |$;;;;;;;;;N;;;;;;;;;;;;;;$,c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation US Patent					Assay Description A solution of 4× inhibitor (5 μL), 4× substrate/ATP-Metal solution (5 μL), and 2× Kinase solution (10 μL) was prepared with assay buff...				US Patent US10137122 (2018) BindingDB Entry DOI: 10.7270/Q2DJ5HPX
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM303234 (US10137122, Compound 113) Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(C3CC3)c1C2(C)c1ccccc1 |$;;;;;;;;;N;;;;;;;;;;;;;;;;$,c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation US Patent					Assay Description A solution of 4× inhibitor (5 μL), 4× substrate/ATP-Metal solution (5 μL), and 2× Kinase solution (10 μL) was prepared with assay buff...				US Patent US10137122 (2018) BindingDB Entry DOI: 10.7270/Q2DJ5HPX
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM188515 ((S)-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,4,6,7...) Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(C3CC3)c1[C@]2(C)c1ccccc1 |r,c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation US Patent					Assay Description A solution of 4× inhibitor (5 μL), 4× substrate/ATP-Metal solution (5 μL), and 2× Kinase solution (10 μL) was prepared with assay buff...				US Patent US10137122 (2018) BindingDB Entry DOI: 10.7270/Q2DJ5HPX
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM303237 (US10137122, Compound 112) Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(C3CC3)c1C2(c1ccccc1)C(F)(F)F |c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation US Patent					Assay Description A solution of 4× inhibitor (5 μL), 4× substrate/ATP-Metal solution (5 μL), and 2× Kinase solution (10 μL) was prepared with assay buff...				US Patent US10137122 (2018) BindingDB Entry DOI: 10.7270/Q2DJ5HPX
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM303238 (US10137122, Compound 116) Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(C3CC3)c1C2(C)c1ccccc1F |$;;;;;;;;;N;;;;;;;;;;;;;;;;;$,c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation US Patent					Assay Description A solution of 4× inhibitor (5 μL), 4× substrate/ATP-Metal solution (5 μL), and 2× Kinase solution (10 μL) was prepared with assay buff...				US Patent US10137122 (2018) BindingDB Entry DOI: 10.7270/Q2DJ5HPX
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM303240 (US10137122, Compound 117) Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(C3CC3)c1C2(C)c1cccc(c1)C#N |$;;;;;;;;;N;;;;;;;;;;;;;;;;;;$,c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation US Patent					Assay Description A solution of 4× inhibitor (5 μL), 4× substrate/ATP-Metal solution (5 μL), and 2× Kinase solution (10 μL) was prepared with assay buff...				US Patent US10137122 (2018) BindingDB Entry DOI: 10.7270/Q2DJ5HPX
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM303241 (US10137122, Compound 119) Show SMILES CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(C3CCC3)c1C2(C)c1ccccc1 |$;;;;;;;;;N;;;;;;;;;;;;;;;;;$,c:6| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation US Patent					Assay Description A solution of 4× inhibitor (5 μL), 4× substrate/ATP-Metal solution (5 μL), and 2× Kinase solution (10 μL) was prepared with assay buff...				US Patent US10137122 (2018) BindingDB Entry DOI: 10.7270/Q2DJ5HPX
					More data for this Ligand-Target Pair

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