Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'sebo' and Initial = 'l'   

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
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50374091 (CHEMBL257000) Show SMILES CC(=O)N1CCc2c(C1)nc(C)n2[C@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccccc1 |THB:21:20:14.13.19:17.16| Show InChI InChI=1S/C33H39F3N6O2/c1-22-37-30-21-39(23(2)43)18-15-31(30)42(22)29-19-27-13-14-28(20-29)40(27)16-6-17-41(26-7-4-3-5-8-26)32(44)38-25-11-9-24(10-12-25)33(34,35)36/h3-5,7-12,27-29H,6,13-21H2,1-2H3,(H,38,44)/t27-,28+,29-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Antagonist activity at CCR5 receptor by [35S]GTP-gamma-S binding assay				Bioorg Med Chem Lett 18: 1498-501 (2008) Article DOI: 10.1016/j.bmcl.2007.12.058 BindingDB Entry DOI: 10.7270/Q2V125PH
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377234 (CHEMBL402902) Show SMILES OC(=O)c1ccc(Nc2ncc(c(NC34CC5CC(CC(O)(C5)C3)C4)n2)[N+]([O-])=O)cc1 |w:18.25,16.15,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:18:15:22.20.23,19:20:17.18.24:15,23:20:17:24.14.15,23:14:17:22.19.20,21:20:17:24.14.15,TEB:24:18:22:14.15.23| Show InChI InChI=1S/C21H23N5O5/c27-18(28)14-1-3-15(4-2-14)23-19-22-10-16(26(30)31)17(24-19)25-20-6-12-5-13(7-20)9-21(29,8-12)11-20/h1-4,10,12-13,29H,5-9,11H2,(H,27,28)(H2,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50374084 (CHEMBL257081) Show SMILES CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1 |THB:17:16:10.9.15:13.12| Show InChI InChI=1S/C30H40N6O/c1-21(2)29-33-32-23(4)36(29)28-19-26-15-16-27(20-28)34(26)17-8-18-35(25-9-6-5-7-10-25)30(37)31-24-13-11-22(3)12-14-24/h5-7,9-14,21,26-28H,8,15-20H2,1-4H3,(H,31,37)/t26-,27+,28+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP1beta from human recombinant CCR5 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 18: 1498-501 (2008) Article DOI: 10.1016/j.bmcl.2007.12.058 BindingDB Entry DOI: 10.7270/Q2V125PH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50374072 (CHEMBL272716) Show SMILES CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1ccc(Cl)cc1)c1ccccc1 |THB:17:16:10.9.15:13.12| Show InChI InChI=1S/C29H37ClN6O/c1-20(2)28-33-32-21(3)36(28)27-18-25-14-15-26(19-27)34(25)16-7-17-35(24-8-5-4-6-9-24)29(37)31-23-12-10-22(30)11-13-23/h4-6,8-13,20,25-27H,7,14-19H2,1-3H3,(H,31,37)/t25-,26+,27+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP1beta from human recombinant CCR5 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 18: 1498-501 (2008) Article DOI: 10.1016/j.bmcl.2007.12.058 BindingDB Entry DOI: 10.7270/Q2V125PH
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377234 (CHEMBL402902) Show SMILES OC(=O)c1ccc(Nc2ncc(c(NC34CC5CC(CC(O)(C5)C3)C4)n2)[N+]([O-])=O)cc1 |w:18.25,16.15,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:18:15:22.20.23,19:20:17.18.24:15,23:20:17:24.14.15,23:14:17:22.19.20,21:20:17:24.14.15,TEB:24:18:22:14.15.23| Show InChI InChI=1S/C21H23N5O5/c27-18(28)14-1-3-15(4-2-14)23-19-22-10-16(26(30)31)17(24-19)25-20-6-12-5-13(7-20)9-21(29,8-12)11-20/h1-4,10,12-13,29H,5-9,11H2,(H,27,28)(H2,22,23,24,25)	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	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377237 (CHEMBL255735) Show SMILES OC(=O)\C=C/c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 Show InChI InChI=1S/C19H14N6O2/c26-17(27)11-8-13-6-9-14(10-7-13)21-19-20-12-16-18(22-19)25(24-23-16)15-4-2-1-3-5-15/h1-12H,(H,26,27)(H,20,21,22)/b11-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377235 (CHEMBL402541) Show SMILES OC(=O)COc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 Show InChI InChI=1S/C18H14N6O3/c25-16(26)11-27-14-8-6-12(7-9-14)20-18-19-10-15-17(21-18)24(23-22-15)13-4-2-1-3-5-13/h1-10H,11H2,(H,25,26)(H,19,20,21)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377235 (CHEMBL402541) Show SMILES OC(=O)COc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 Show InChI InChI=1S/C18H14N6O3/c25-16(26)11-27-14-8-6-12(7-9-14)20-18-19-10-15-17(21-18)24(23-22-15)13-4-2-1-3-5-13/h1-10H,11H2,(H,25,26)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377237 (CHEMBL255735) Show SMILES OC(=O)\C=C/c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 Show InChI InChI=1S/C19H14N6O2/c26-17(27)11-8-13-6-9-14(10-7-13)21-19-20-12-16-18(22-19)25(24-23-16)15-4-2-1-3-5-15/h1-12H,(H,26,27)(H,20,21,22)/b11-8-	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50374080 (CHEMBL271075) Show SMILES CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1cccc(Cl)c1)c1ccccc1 |THB:17:16:10.9.15:13.12| Show InChI InChI=1S/C29H37ClN6O/c1-20(2)28-33-32-21(3)36(28)27-18-25-13-14-26(19-27)34(25)15-8-16-35(24-11-5-4-6-12-24)29(37)31-23-10-7-9-22(30)17-23/h4-7,9-12,17,20,25-27H,8,13-16,18-19H2,1-3H3,(H,31,37)/t25-,26+,27+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP1beta from human recombinant CCR5 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 18: 1498-501 (2008) Article DOI: 10.1016/j.bmcl.2007.12.058 BindingDB Entry DOI: 10.7270/Q2V125PH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50374087 (CHEMBL272490) Show SMILES CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1ccccc1)c1ccccc1 |THB:17:16:10.9.15:13.12| Show InChI InChI=1S/C29H38N6O/c1-21(2)28-32-31-22(3)35(28)27-19-25-15-16-26(20-27)33(25)17-10-18-34(24-13-8-5-9-14-24)29(36)30-23-11-6-4-7-12-23/h4-9,11-14,21,25-27H,10,15-20H2,1-3H3,(H,30,36)/t25-,26+,27+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP1beta from human recombinant CCR5 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 18: 1498-501 (2008) Article DOI: 10.1016/j.bmcl.2007.12.058 BindingDB Entry DOI: 10.7270/Q2V125PH
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377240 (CHEMBL404565) Show SMILES OC(=O)CCc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 Show InChI InChI=1S/C19H16N6O2/c26-17(27)11-8-13-6-9-14(10-7-13)21-19-20-12-16-18(22-19)25(24-23-16)15-4-2-1-3-5-15/h1-7,9-10,12H,8,11H2,(H,26,27)(H,20,21,22)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377232 (CHEMBL253956) Show SMILES O=C1OC(Nc2ncc3nnn(-c4ccccc4)c3n2)c2ccccc12 |w:3.3| Show InChI InChI=1S/C18H12N6O2/c25-17-13-9-5-4-8-12(13)16(26-17)21-18-19-10-14-15(20-18)24(23-22-14)11-6-2-1-3-7-11/h1-10,16H,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377232 (CHEMBL253956) Show SMILES O=C1OC(Nc2ncc3nnn(-c4ccccc4)c3n2)c2ccccc12 |w:3.3| Show InChI InChI=1S/C18H12N6O2/c25-17-13-9-5-4-8-12(13)16(26-17)21-18-19-10-14-15(20-18)24(23-22-14)11-6-2-1-3-7-11/h1-10,16H,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377240 (CHEMBL404565) Show SMILES OC(=O)CCc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 Show InChI InChI=1S/C19H16N6O2/c26-17(27)11-8-13-6-9-14(10-7-13)21-19-20-12-16-18(22-19)25(24-23-16)15-4-2-1-3-5-15/h1-7,9-10,12H,8,11H2,(H,26,27)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377231 (CHEMBL253748) Show SMILES OC(=O)c1ccc(Nc2ncc(c(NC34CC5CC(CC(C5)C3)C4)n2)[N+]([O-])=O)cc1 |TLB:13:14:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20| Show InChI InChI=1S/C21H23N5O4/c27-19(28)15-1-3-16(4-2-15)23-20-22-11-17(26(29)30)18(24-20)25-21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,11-14H,5-10H2,(H,27,28)(H2,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50374082 (CHEMBL402242) Show SMILES COc1ccc(NC(=O)N(CCCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nnc2C(C)C)c2ccccc2)cc1 |THB:12:13:20.19.18:16.15| Show InChI InChI=1S/C30H40N6O2/c1-21(2)29-33-32-22(3)36(29)27-19-25-13-14-26(20-27)34(25)17-8-18-35(24-9-6-5-7-10-24)30(37)31-23-11-15-28(38-4)16-12-23/h5-7,9-12,15-16,21,25-27H,8,13-14,17-20H2,1-4H3,(H,31,37)/t25-,26+,27+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP1beta from human recombinant CCR5 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 18: 1498-501 (2008) Article DOI: 10.1016/j.bmcl.2007.12.058 BindingDB Entry DOI: 10.7270/Q2V125PH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50374074 (CHEMBL257728) Show SMILES CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1cccc(C)c1)c1ccccc1 |THB:17:16:10.9.15:13.12| Show InChI InChI=1S/C30H40N6O/c1-21(2)29-33-32-23(4)36(29)28-19-26-14-15-27(20-28)34(26)16-9-17-35(25-12-6-5-7-13-25)30(37)31-24-11-8-10-22(3)18-24/h5-8,10-13,18,21,26-28H,9,14-17,19-20H2,1-4H3,(H,31,37)/t26-,27+,28+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP1beta from human recombinant CCR5 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 18: 1498-501 (2008) Article DOI: 10.1016/j.bmcl.2007.12.058 BindingDB Entry DOI: 10.7270/Q2V125PH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50374090 (CHEMBL256584) Show SMILES CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)NC1CCCCC1)c1ccccc1 |THB:17:16:10.9.15:13.12| Show InChI InChI=1S/C29H44N6O/c1-21(2)28-32-31-22(3)35(28)27-19-25-15-16-26(20-27)33(25)17-10-18-34(24-13-8-5-9-14-24)29(36)30-23-11-6-4-7-12-23/h5,8-9,13-14,21,23,25-27H,4,6-7,10-12,15-20H2,1-3H3,(H,30,36)/t25-,26+,27+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
K£mia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP1beta from human recombinant CCR5 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 18: 1498-501 (2008) Article DOI: 10.1016/j.bmcl.2007.12.058 BindingDB Entry DOI: 10.7270/Q2V125PH
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377241 (CHEMBL402932) Show SMILES OC(=O)c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 Show InChI InChI=1S/C17H12N6O2/c24-16(25)11-6-8-12(9-7-11)19-17-18-10-14-15(20-17)23(22-21-14)13-4-2-1-3-5-13/h1-10H,(H,24,25)(H,18,19,20)	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	32	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377231 (CHEMBL253748) Show SMILES OC(=O)c1ccc(Nc2ncc(c(NC34CC5CC(CC(C5)C3)C4)n2)[N+]([O-])=O)cc1 |TLB:13:14:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20| Show InChI InChI=1S/C21H23N5O4/c27-19(28)15-1-3-16(4-2-15)23-20-22-11-17(26(29)30)18(24-20)25-21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,11-14H,5-10H2,(H,27,28)(H2,22,23,24,25)	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	34	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377252 (CHEMBL404175) Show SMILES OC(=O)CCc1ccc(Nc2ncc(c(NC34CC5CC(CC(C5)C3)C4)n2)[N+]([O-])=O)cc1 |TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22| Show InChI InChI=1S/C23H27N5O4/c29-20(30)6-3-14-1-4-18(5-2-14)25-22-24-13-19(28(31)32)21(26-22)27-23-10-15-7-16(11-23)9-17(8-15)12-23/h1-2,4-5,13,15-17H,3,6-12H2,(H,29,30)(H2,24,25,26,27)	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	38	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377248 (CHEMBL255905) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(c(NC23CC4CC(CC(O)(C4)C2)C3)n1)C(F)(F)F |w:18.19,16.16,wU:4.7,wD:1.0,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:20:17.18.24:15,21:20:17:24.14.15,23:20:17:24.14.15,23:14:17:22.19.20,TEB:19:18:15:22.20.23,(-3.23,-28.53,;-3.23,-26.99,;-1.9,-26.21,;-1.9,-24.67,;-3.23,-23.91,;-4.57,-24.68,;-4.57,-26.22,;-3.24,-22.37,;-4.57,-21.6,;-4.58,-20.05,;-5.92,-19.29,;-7.24,-20.06,;-7.24,-21.6,;-8.58,-22.37,;-8.59,-23.91,;-9.93,-24.39,;-9.93,-25.88,;-11.12,-27.15,;-9.62,-26.73,;-8.22,-27.3,;-7.2,-26.02,;-5.66,-25.96,;-8.6,-26.37,;-7.19,-24.49,;-9.63,-25.15,;-5.91,-22.37,;-8.58,-19.29,;-9.92,-18.52,;-7.81,-17.95,;-9.34,-20.63,)| Show InChI InChI=1S/C21H29F3N4O2/c22-21(23,24)16-10-25-18(26-14-1-3-15(29)4-2-14)27-17(16)28-19-6-12-5-13(7-19)9-20(30,8-12)11-19/h10,12-15,29-30H,1-9,11H2,(H2,25,26,27,28)/t12?,13?,14-,15-,19?,20?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50374078 (CHEMBL272064) Show SMILES CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 |THB:17:16:10.9.15:13.12| Show InChI InChI=1S/C29H36Cl2N6O/c1-19(2)28-34-33-20(3)37(28)24-17-22-13-14-23(18-24)35(22)15-8-16-36(21-9-5-4-6-10-21)29(38)32-26-12-7-11-25(30)27(26)31/h4-7,9-12,19,22-24H,8,13-18H2,1-3H3,(H,32,38)/t22-,23+,24+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP1beta from human recombinant CCR5 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 18: 1498-501 (2008) Article DOI: 10.1016/j.bmcl.2007.12.058 BindingDB Entry DOI: 10.7270/Q2V125PH
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377241 (CHEMBL402932) Show SMILES OC(=O)c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 Show InChI InChI=1S/C17H12N6O2/c24-16(25)11-6-8-12(9-7-11)19-17-18-10-14-15(20-17)23(22-21-14)13-4-2-1-3-5-13/h1-10H,(H,24,25)(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377253 (CHEMBL257575) Show SMILES OC(=O)c1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(O)(C4)C2)C3)cc1 |w:21.23,19.20,TLB:24:23:20.21.27:18,THB:22:23:20.21.27:18,26:23:20:27.17.18,26:17:20:25.22.23,24:23:20:27.17.18,TEB:22:21:18:25.23.26| Show InChI InChI=1S/C21H22N6O3/c28-18(29)14-1-3-15(4-2-14)23-19-22-10-16-17(24-19)27(26-25-16)20-6-12-5-13(7-20)9-21(30,8-12)11-20/h1-4,10,12-13,30H,5-9,11H2,(H,28,29)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50374073 (CHEMBL255854) Show SMILES COc1cccc(NC(=O)N(CCCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nnc2C(C)C)c2ccccc2)c1 |THB:13:14:21.20.19:17.16| Show InChI InChI=1S/C30H40N6O2/c1-21(2)29-33-32-22(3)36(29)27-19-25-14-15-26(20-27)34(25)16-9-17-35(24-11-6-5-7-12-24)30(37)31-23-10-8-13-28(18-23)38-4/h5-8,10-13,18,21,25-27H,9,14-17,19-20H2,1-4H3,(H,31,37)/t25-,26+,27+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP1beta from human recombinant CCR5 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 18: 1498-501 (2008) Article DOI: 10.1016/j.bmcl.2007.12.058 BindingDB Entry DOI: 10.7270/Q2V125PH
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377248 (CHEMBL255905) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(c(NC23CC4CC(CC(O)(C4)C2)C3)n1)C(F)(F)F |w:18.19,16.16,wU:4.7,wD:1.0,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:20:17.18.24:15,21:20:17:24.14.15,23:20:17:24.14.15,23:14:17:22.19.20,TEB:19:18:15:22.20.23,(-3.23,-28.53,;-3.23,-26.99,;-1.9,-26.21,;-1.9,-24.67,;-3.23,-23.91,;-4.57,-24.68,;-4.57,-26.22,;-3.24,-22.37,;-4.57,-21.6,;-4.58,-20.05,;-5.92,-19.29,;-7.24,-20.06,;-7.24,-21.6,;-8.58,-22.37,;-8.59,-23.91,;-9.93,-24.39,;-9.93,-25.88,;-11.12,-27.15,;-9.62,-26.73,;-8.22,-27.3,;-7.2,-26.02,;-5.66,-25.96,;-8.6,-26.37,;-7.19,-24.49,;-9.63,-25.15,;-5.91,-22.37,;-8.58,-19.29,;-9.92,-18.52,;-7.81,-17.95,;-9.34,-20.63,)| Show InChI InChI=1S/C21H29F3N4O2/c22-21(23,24)16-10-25-18(26-14-1-3-15(29)4-2-14)27-17(16)28-19-6-12-5-13(7-19)9-20(30,8-12)11-19/h10,12-15,29-30H,1-9,11H2,(H2,25,26,27,28)/t12?,13?,14-,15-,19?,20?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377253 (CHEMBL257575) Show SMILES OC(=O)c1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(O)(C4)C2)C3)cc1 |w:21.23,19.20,TLB:24:23:20.21.27:18,THB:22:23:20.21.27:18,26:23:20:27.17.18,26:17:20:25.22.23,24:23:20:27.17.18,TEB:22:21:18:25.23.26| Show InChI InChI=1S/C21H22N6O3/c28-18(29)14-1-3-15(4-2-14)23-19-22-10-16-17(24-19)27(26-25-16)20-6-12-5-13(7-20)9-21(30,8-12)11-20/h1-4,10,12-13,30H,5-9,11H2,(H,28,29)(H,22,23,24)	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	66	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377236 (CHEMBL402969) Show SMILES OC(=O)COc1ccc(Nc2ncc(c(Nc3ccccc3)n2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C18H15N5O5/c24-16(25)11-28-14-8-6-13(7-9-14)21-18-19-10-15(23(26)27)17(22-18)20-12-4-2-1-3-5-12/h1-10H,11H2,(H,24,25)(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377230 (CHEMBL257577) Show SMILES OC(=O)c1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(C4)C2)C3)cc1 |THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| Show InChI InChI=1S/C21H22N6O2/c28-19(29)15-1-3-16(4-2-15)23-20-22-11-17-18(24-20)27(26-25-17)21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,11-14H,5-10H2,(H,28,29)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50374089 (CHEMBL272556) Show SMILES CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)NC1CCCC1)c1ccccc1 |THB:17:16:10.9.15:13.12| Show InChI InChI=1S/C28H42N6O/c1-20(2)27-31-30-21(3)34(27)26-18-24-14-15-25(19-26)32(24)16-9-17-33(23-12-5-4-6-13-23)28(35)29-22-10-7-8-11-22/h4-6,12-13,20,22,24-26H,7-11,14-19H2,1-3H3,(H,29,35)/t24-,25+,26+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP1beta from human recombinant CCR5 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 18: 1498-501 (2008) Article DOI: 10.1016/j.bmcl.2007.12.058 BindingDB Entry DOI: 10.7270/Q2V125PH
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377230 (CHEMBL257577) Show SMILES OC(=O)c1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(C4)C2)C3)cc1 |THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23| Show InChI InChI=1S/C21H22N6O2/c28-19(29)15-1-3-16(4-2-15)23-20-22-11-17-18(24-20)27(26-25-17)21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,11-14H,5-10H2,(H,28,29)(H,22,23,24)	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	80	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50377236 (CHEMBL402969) Show SMILES OC(=O)COc1ccc(Nc2ncc(c(Nc3ccccc3)n2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C18H15N5O5/c24-16(25)11-28-14-8-6-13(7-9-14)21-18-19-10-15(23(26)27)17(22-18)20-12-4-2-1-3-5-12/h1-10H,11H2,(H,24,25)(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of Aurora A				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377247 (CHEMBL403385) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(Br)c(NC23CC4CC(CC(O)(C4)C2)C3)n1 |w:17.24,19.20,wU:4.7,wD:1.0,TLB:14:15:18:23.20.21,22:21:18.19.25:16,THB:20:21:18.19.25:16,22:21:18:25.15.16,24:21:18:25.15.16,24:15:18:23.20.21,TEB:20:19:16:23.21.24,(8.63,-27.96,;8.63,-26.42,;9.97,-25.64,;9.96,-24.1,;8.63,-23.34,;7.29,-24.11,;7.29,-25.65,;8.63,-21.8,;7.29,-21.03,;7.28,-19.48,;5.94,-18.72,;4.62,-19.49,;3.28,-18.72,;4.62,-21.03,;3.28,-21.8,;3.27,-23.34,;1.93,-23.82,;1.94,-25.31,;.74,-26.58,;2.24,-26.16,;3.65,-26.72,;4.66,-25.45,;6.2,-25.39,;3.26,-25.79,;4.67,-23.92,;2.23,-24.57,;5.95,-21.8,)| Show InChI InChI=1S/C20H29BrN4O2/c21-16-10-22-18(23-14-1-3-15(26)4-2-14)24-17(16)25-19-6-12-5-13(7-19)9-20(27,8-12)11-19/h10,12-15,26-27H,1-9,11H2,(H2,22,23,24,25)/t12?,13?,14-,15-,19?,20?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377236 (CHEMBL402969) Show SMILES OC(=O)COc1ccc(Nc2ncc(c(Nc3ccccc3)n2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C18H15N5O5/c24-16(25)11-28-14-8-6-13(7-9-14)21-18-19-10-15(23(26)27)17(22-18)20-12-4-2-1-3-5-12/h1-10H,11H2,(H,24,25)(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377251 (CHEMBL254350) Show SMILES OC(=O)COc1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(O)(C4)C2)C3)cc1 |w:23.25,21.22,TLB:26:25:22.23.29:20,THB:24:25:22.23.29:20,28:25:22:29.19.20,28:19:22:27.24.25,26:25:22:29.19.20,TEB:24:23:20:27.25.28| Show InChI InChI=1S/C22H24N6O4/c29-18(30)11-32-16-3-1-15(2-4-16)24-20-23-10-17-19(25-20)28(27-26-17)21-6-13-5-14(7-21)9-22(31,8-13)12-21/h1-4,10,13-14,31H,5-9,11-12H2,(H,29,30)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50374075 (CHEMBL402776) Show SMILES CC(C)NC(=O)N(CCCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nnc1C(C)C)c1ccccc1 |THB:9:10:17.16.15:13.12| Show InChI InChI=1S/C26H40N6O/c1-18(2)25-29-28-20(5)32(25)24-16-22-12-13-23(17-24)30(22)14-9-15-31(26(33)27-19(3)4)21-10-7-6-8-11-21/h6-8,10-11,18-19,22-24H,9,12-17H2,1-5H3,(H,27,33)/t22-,23+,24+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP1beta from human recombinant CCR5 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 18: 1498-501 (2008) Article DOI: 10.1016/j.bmcl.2007.12.058 BindingDB Entry DOI: 10.7270/Q2V125PH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50374081 (CHEMBL271076) Show SMILES CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1ccccc1Cl)c1ccccc1 |THB:17:16:10.9.15:13.12| Show InChI InChI=1S/C29H37ClN6O/c1-20(2)28-33-32-21(3)36(28)25-18-23-14-15-24(19-25)34(23)16-9-17-35(22-10-5-4-6-11-22)29(37)31-27-13-8-7-12-26(27)30/h4-8,10-13,20,23-25H,9,14-19H2,1-3H3,(H,31,37)/t23-,24+,25+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP1beta from human recombinant CCR5 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 18: 1498-501 (2008) Article DOI: 10.1016/j.bmcl.2007.12.058 BindingDB Entry DOI: 10.7270/Q2V125PH
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377252 (CHEMBL404175) Show SMILES OC(=O)CCc1ccc(Nc2ncc(c(NC34CC5CC(CC(C5)C3)C4)n2)[N+]([O-])=O)cc1 |TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22| Show InChI InChI=1S/C23H27N5O4/c29-20(30)6-3-14-1-4-18(5-2-14)25-22-24-13-19(28(31)32)21(26-22)27-23-10-15-7-16(11-23)9-17(8-15)12-23/h1-2,4-5,13,15-17H,3,6-12H2,(H,29,30)(H2,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50377237 (CHEMBL255735) Show SMILES OC(=O)\C=C/c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 Show InChI InChI=1S/C19H14N6O2/c26-17(27)11-8-13-6-9-14(10-7-13)21-19-20-12-16-18(22-19)25(24-23-16)15-4-2-1-3-5-15/h1-12H,(H,26,27)(H,20,21,22)/b11-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of Aurora A				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377250 (CHEMBL404174) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(c(NC23CC4CC(CC(O)(C4)C2)C3)n1)[N+]([O-])=O |w:18.19,16.16,wU:4.7,wD:1.0,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:20:17.18.24:15,23:20:17:24.14.15,23:14:17:22.19.20,21:20:17:24.14.15,TEB:19:18:15:22.20.23,(12.04,-16.8,;12.03,-15.26,;13.37,-14.48,;13.36,-12.94,;12.03,-12.18,;10.7,-12.95,;10.7,-14.49,;12.03,-10.64,;10.7,-9.87,;10.69,-8.32,;9.35,-7.56,;8.02,-8.33,;8.02,-9.87,;6.69,-10.64,;6.68,-12.18,;5.33,-12.66,;5.34,-14.14,;4.14,-15.42,;5.64,-15,;7.05,-15.56,;8.06,-14.29,;9.6,-14.22,;6.67,-14.63,;8.08,-12.76,;5.64,-13.41,;9.35,-10.64,;6.68,-7.56,;6.68,-6.02,;5.35,-8.33,)| Show InChI InChI=1S/C20H29N5O4/c26-15-3-1-14(2-4-15)22-18-21-10-16(25(28)29)17(23-18)24-19-6-12-5-13(7-19)9-20(27,8-12)11-19/h10,12-15,26-27H,1-9,11H2,(H2,21,22,23,24)/t12?,13?,14-,15-,19?,20?	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	123	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377238 (CHEMBL255948) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nnn(-c3ccccc3)c2n1 |wU:4.7,wD:1.0,(22.09,-29.69,;22.09,-28.15,;23.43,-27.38,;23.43,-25.84,;22.1,-25.08,;20.76,-25.84,;20.76,-27.38,;22.09,-23.54,;20.76,-22.77,;20.75,-21.21,;19.41,-20.45,;18.08,-21.23,;16.61,-20.76,;15.71,-22.01,;16.62,-23.25,;16.15,-24.71,;14.64,-25.03,;14.17,-26.5,;15.21,-27.64,;16.72,-27.31,;17.19,-25.84,;18.09,-22.77,;19.42,-23.54,)| Show InChI InChI=1S/C16H18N6O/c23-13-8-6-11(7-9-13)18-16-17-10-14-15(19-16)22(21-20-14)12-4-2-1-3-5-12/h1-5,10-11,13,23H,6-9H2,(H,17,18,19)/t11-,13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377247 (CHEMBL403385) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(Br)c(NC23CC4CC(CC(O)(C4)C2)C3)n1 |w:17.24,19.20,wU:4.7,wD:1.0,TLB:14:15:18:23.20.21,22:21:18.19.25:16,THB:20:21:18.19.25:16,22:21:18:25.15.16,24:21:18:25.15.16,24:15:18:23.20.21,TEB:20:19:16:23.21.24,(8.63,-27.96,;8.63,-26.42,;9.97,-25.64,;9.96,-24.1,;8.63,-23.34,;7.29,-24.11,;7.29,-25.65,;8.63,-21.8,;7.29,-21.03,;7.28,-19.48,;5.94,-18.72,;4.62,-19.49,;3.28,-18.72,;4.62,-21.03,;3.28,-21.8,;3.27,-23.34,;1.93,-23.82,;1.94,-25.31,;.74,-26.58,;2.24,-26.16,;3.65,-26.72,;4.66,-25.45,;6.2,-25.39,;3.26,-25.79,;4.67,-23.92,;2.23,-24.57,;5.95,-21.8,)| Show InChI InChI=1S/C20H29BrN4O2/c21-16-10-22-18(23-14-1-3-15(26)4-2-14)24-17(16)25-19-6-12-5-13(7-19)9-20(27,8-12)11-19/h10,12-15,26-27H,1-9,11H2,(H2,22,23,24,25)/t12?,13?,14-,15-,19?,20?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50377235 (CHEMBL402541) Show SMILES OC(=O)COc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 Show InChI InChI=1S/C18H14N6O3/c25-16(26)11-27-14-8-6-12(7-9-14)20-18-19-10-15-17(21-18)24(23-22-15)13-4-2-1-3-5-13/h1-10H,11H2,(H,25,26)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of Aurora A				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377246 (CHEMBL257370) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(Cl)c(NC23CC4CC(CC(O)(C4)C2)C3)n1 |w:17.24,19.20,wU:4.7,wD:1.0,TLB:14:15:18:23.20.21,22:21:18.19.25:16,THB:20:21:18.19.25:16,22:21:18:25.15.16,24:21:18:25.15.16,24:15:18:23.20.21,TEB:20:19:16:23.21.24,(19.93,-27.3,;19.92,-25.76,;21.26,-24.98,;21.25,-23.45,;19.92,-22.69,;18.59,-23.46,;18.59,-24.99,;19.92,-21.15,;18.59,-20.38,;18.58,-18.83,;17.24,-18.06,;15.91,-18.84,;14.58,-18.07,;15.91,-20.38,;14.58,-21.15,;14.57,-22.69,;13.22,-23.17,;13.23,-24.65,;12.03,-25.93,;13.53,-25.51,;14.94,-26.07,;15.95,-24.79,;17.49,-24.73,;14.56,-25.14,;15.97,-23.27,;13.53,-23.92,;17.24,-21.15,)| Show InChI InChI=1S/C20H29ClN4O2/c21-16-10-22-18(23-14-1-3-15(26)4-2-14)24-17(16)25-19-6-12-5-13(7-19)9-20(27,8-12)11-19/h10,12-15,26-27H,1-9,11H2,(H2,22,23,24,25)/t12?,13?,14-,15-,19?,20?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377243 (CHEMBL257188) Show SMILES OC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3)n2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C17H13N5O4/c23-16(24)11-6-8-13(9-7-11)20-17-18-10-14(22(25)26)15(21-17)19-12-4-2-1-3-5-12/h1-10H,(H,23,24)(H2,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50377234 (CHEMBL402902) Show SMILES OC(=O)c1ccc(Nc2ncc(c(NC34CC5CC(CC(O)(C5)C3)C4)n2)[N+]([O-])=O)cc1 |w:18.25,16.15,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:18:15:22.20.23,19:20:17.18.24:15,23:20:17:24.14.15,23:14:17:22.19.20,21:20:17:24.14.15,TEB:24:18:22:14.15.23| Show InChI InChI=1S/C21H23N5O5/c27-18(28)14-1-3-15(4-2-14)23-19-22-10-16(26(30)31)17(24-19)25-20-6-12-5-13(7-20)9-21(29,8-12)11-20/h1-4,10,12-13,29H,5-9,11H2,(H,27,28)(H2,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of Aurora A				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377251 (CHEMBL254350) Show SMILES OC(=O)COc1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(O)(C4)C2)C3)cc1 |w:23.25,21.22,TLB:26:25:22.23.29:20,THB:24:25:22.23.29:20,28:25:22:29.19.20,28:19:22:27.24.25,26:25:22:29.19.20,TEB:24:23:20:27.25.28| Show InChI InChI=1S/C22H24N6O4/c29-18(30)11-32-16-3-1-15(2-4-16)24-20-23-10-17-19(25-20)28(27-26-17)21-6-13-5-14(7-21)9-22(31,8-13)12-21/h1-4,10,13-14,31H,5-9,11-12H2,(H,29,30)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	169	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377239 (CHEMBL256517) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(c(Nc2ccccc2)n1)[N+]([O-])=O |wU:4.7,wD:1.0,(10.05,-30.85,;10.05,-29.31,;11.38,-28.53,;11.38,-26.99,;10.05,-26.23,;8.71,-27,;8.71,-28.54,;10.05,-24.69,;8.71,-23.92,;8.7,-22.37,;7.36,-21.61,;6.04,-22.38,;6.04,-23.92,;4.7,-24.69,;4.7,-26.23,;3.36,-26.99,;3.36,-28.53,;4.69,-29.31,;6.03,-28.53,;6.03,-26.99,;7.37,-24.69,;4.7,-21.61,;4.7,-20.07,;3.37,-22.38,)| Show InChI InChI=1S/C16H19N5O3/c22-13-8-6-12(7-9-13)19-16-17-10-14(21(23)24)15(20-16)18-11-4-2-1-3-5-11/h1-5,10,12-13,22H,6-9H2,(H2,17,18,19,20)/t12-,13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair

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