Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 5873   

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
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM98040 (US8486953, 53) Show SMILES CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12 Show InChI InChI=1S/C22H28FN5O2S/c1-13(2)30-17-11-15(23)7-8-16(17)27-20-18-14(3)19(31-22(18)26-12-25-20)21(29)24-9-6-10-28(4)5/h7-8,11-13H,6,9-10H2,1-5H3,(H,24,29)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In vitro kinase assay using human Mnk1 and Mnk2.				US Patent US8486953 (2013) BindingDB Entry DOI: 10.7270/Q2TM78R3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM98034 (US8486953, 9) Show SMILES CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c2c1C Show InChI InChI=1S/C24H30FN5O3S/c1-15-20-22(27-14-28-24(20)34-21(15)23(31)26-9-4-10-30(2)3)29-18-6-5-16(25)13-19(18)33-17-7-11-32-12-8-17/h5-6,13-14,17H,4,7-12H2,1-3H3,(H,26,31)(H,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In vitro kinase assay using human Mnk1 and Mnk2.				US Patent US8486953 (2013) BindingDB Entry DOI: 10.7270/Q2TM78R3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM98032 (US8486953, 2) Show SMILES CCOc1cc(ccc1Nc1ncnc2sc(C(N)=O)c(C)c12)C(N)=O Show InChI InChI=1S/C17H17N5O3S/c1-3-25-11-6-9(14(18)23)4-5-10(11)22-16-12-8(2)13(15(19)24)26-17(12)21-7-20-16/h4-7H,3H2,1-2H3,(H2,18,23)(H2,19,24)(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In vitro kinase assay using human Mnk1 and Mnk2.				US Patent US8486953 (2013) BindingDB Entry DOI: 10.7270/Q2TM78R3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM98035 (US8486953, 10) Show SMILES Cc1c(sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c12)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C25H30FN5O4S/c1-16-21-23(30-19-3-2-17(26)14-20(19)35-18-4-10-33-11-5-18)28-15-29-25(21)36-22(16)24(32)27-6-7-31-8-12-34-13-9-31/h2-3,14-15,18H,4-13H2,1H3,(H,27,32)(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In vitro kinase assay using human Mnk1 and Mnk2.				US Patent US8486953 (2013) BindingDB Entry DOI: 10.7270/Q2TM78R3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM98040 (US8486953, 53) Show SMILES CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12 Show InChI InChI=1S/C22H28FN5O2S/c1-13(2)30-17-11-15(23)7-8-16(17)27-20-18-14(3)19(31-22(18)26-12-25-20)21(29)24-9-6-10-28(4)5/h7-8,11-13H,6,9-10H2,1-5H3,(H,24,29)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In vitro kinase assay using human Mnk1 and Mnk2.				US Patent US8486953 (2013) BindingDB Entry DOI: 10.7270/Q2TM78R3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM98033 (US8486953, 6) Show SMILES COCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c2c1C Show InChI InChI=1S/C22H25FN4O4S/c1-13-18-20(25-12-26-22(18)32-19(13)21(28)24-7-10-29-2)27-16-4-3-14(23)11-17(16)31-15-5-8-30-9-6-15/h3-4,11-12,15H,5-10H2,1-2H3,(H,24,28)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In vitro kinase assay using human Mnk1 and Mnk2.				US Patent US8486953 (2013) BindingDB Entry DOI: 10.7270/Q2TM78R3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM98036 (US8486953, 19) Show SMILES COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C Show InChI InChI=1S/C18H18FN3O3S/c1-9(2)25-13-7-11(19)5-6-12(13)22-16-14-10(3)15(18(23)24-4)26-17(14)21-8-20-16/h5-9H,1-4H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In vitro kinase assay using human Mnk1 and Mnk2.				US Patent US8486953 (2013) BindingDB Entry DOI: 10.7270/Q2TM78R3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM98039 (US8486953, 48) Show SMILES Cc1c(sc2ncnc(Nc3ccc(F)cc3OC3CCN(Cc4ncon4)CC3)c12)C(N)=O Show InChI InChI=1S/C22H22FN7O3S/c1-12-18-21(25-10-26-22(18)34-19(12)20(24)31)28-15-3-2-13(23)8-16(15)33-14-4-6-30(7-5-14)9-17-27-11-32-29-17/h2-3,8,10-11,14H,4-7,9H2,1H3,(H2,24,31)(H,25,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	92	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In vitro kinase assay using human Mnk1 and Mnk2.				US Patent US8486953 (2013) BindingDB Entry DOI: 10.7270/Q2TM78R3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM98034 (US8486953, 9) Show SMILES CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c2c1C Show InChI InChI=1S/C24H30FN5O3S/c1-15-20-22(27-14-28-24(20)34-21(15)23(31)26-9-4-10-30(2)3)29-18-6-5-16(25)13-19(18)33-17-7-11-32-12-8-17/h5-6,13-14,17H,4,7-12H2,1-3H3,(H,26,31)(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In vitro kinase assay using human Mnk1 and Mnk2.				US Patent US8486953 (2013) BindingDB Entry DOI: 10.7270/Q2TM78R3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM98038 (US8486953, 41) Show SMILES Fc1ccc(Nc2ncnc3sc4CNCCc4c23)c(OC2CCOCC2)c1 Show InChI InChI=1S/C20H21FN4O2S/c21-12-1-2-15(16(9-12)27-13-4-7-26-8-5-13)25-19-18-14-3-6-22-10-17(14)28-20(18)24-11-23-19/h1-2,9,11,13,22H,3-8,10H2,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In vitro kinase assay using human Mnk1 and Mnk2.				US Patent US8486953 (2013) BindingDB Entry DOI: 10.7270/Q2TM78R3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM98032 (US8486953, 2) Show SMILES CCOc1cc(ccc1Nc1ncnc2sc(C(N)=O)c(C)c12)C(N)=O Show InChI InChI=1S/C17H17N5O3S/c1-3-25-11-6-9(14(18)23)4-5-10(11)22-16-12-8(2)13(15(19)24)26-17(12)21-7-20-16/h4-7H,3H2,1-2H3,(H2,18,23)(H2,19,24)(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In vitro kinase assay using human Mnk1 and Mnk2.				US Patent US8486953 (2013) BindingDB Entry DOI: 10.7270/Q2TM78R3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM98041 (US8486953, 71) Show SMILES Cc1c(sc2ncnc(Nc3ccc(F)cc3OC3CCN(CC(=O)N4CCOCC4)CC3)c12)C(N)=O Show InChI InChI=1S/C25H29FN6O4S/c1-15-21-24(28-14-29-25(21)37-22(15)23(27)34)30-18-3-2-16(26)12-19(18)36-17-4-6-31(7-5-17)13-20(33)32-8-10-35-11-9-32/h2-3,12,14,17H,4-11,13H2,1H3,(H2,27,34)(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In vitro kinase assay using human Mnk1 and Mnk2.				US Patent US8486953 (2013) BindingDB Entry DOI: 10.7270/Q2TM78R3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM98033 (US8486953, 6) Show SMILES COCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c2c1C Show InChI InChI=1S/C22H25FN4O4S/c1-13-18-20(25-12-26-22(18)32-19(13)21(28)24-7-10-29-2)27-16-4-3-14(23)11-17(16)31-15-5-8-30-9-6-15/h3-4,11-12,15H,5-10H2,1-2H3,(H,24,28)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	180	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In vitro kinase assay using human Mnk1 and Mnk2.				US Patent US8486953 (2013) BindingDB Entry DOI: 10.7270/Q2TM78R3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM98038 (US8486953, 41) Show SMILES Fc1ccc(Nc2ncnc3sc4CNCCc4c23)c(OC2CCOCC2)c1 Show InChI InChI=1S/C20H21FN4O2S/c21-12-1-2-15(16(9-12)27-13-4-7-26-8-5-13)25-19-18-14-3-6-22-10-17(14)28-20(18)24-11-23-19/h1-2,9,11,13,22H,3-8,10H2,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	210	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In vitro kinase assay using human Mnk1 and Mnk2.				US Patent US8486953 (2013) BindingDB Entry DOI: 10.7270/Q2TM78R3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM98035 (US8486953, 10) Show SMILES Cc1c(sc2ncnc(Nc3ccc(F)cc3OC3CCOCC3)c12)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C25H30FN5O4S/c1-16-21-23(30-19-3-2-17(26)14-20(19)35-18-4-10-33-11-5-18)28-15-29-25(21)36-22(16)24(32)27-6-7-31-8-12-34-13-9-31/h2-3,14-15,18H,4-13H2,1H3,(H,27,32)(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	210	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In vitro kinase assay using human Mnk1 and Mnk2.				US Patent US8486953 (2013) BindingDB Entry DOI: 10.7270/Q2TM78R3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM98041 (US8486953, 71) Show SMILES Cc1c(sc2ncnc(Nc3ccc(F)cc3OC3CCN(CC(=O)N4CCOCC4)CC3)c12)C(N)=O Show InChI InChI=1S/C25H29FN6O4S/c1-15-21-24(28-14-29-25(21)37-22(15)23(27)34)30-18-3-2-16(26)12-19(18)36-17-4-6-31(7-5-17)13-20(33)32-8-10-35-11-9-32/h2-3,12,14,17H,4-11,13H2,1H3,(H2,27,34)(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	400	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In vitro kinase assay using human Mnk1 and Mnk2.				US Patent US8486953 (2013) BindingDB Entry DOI: 10.7270/Q2TM78R3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM98039 (US8486953, 48) Show SMILES Cc1c(sc2ncnc(Nc3ccc(F)cc3OC3CCN(Cc4ncon4)CC3)c12)C(N)=O Show InChI InChI=1S/C22H22FN7O3S/c1-12-18-21(25-10-26-22(18)34-19(12)20(24)31)28-15-3-2-13(23)8-16(15)33-14-4-6-30(7-5-14)9-17-27-11-32-29-17/h2-3,8,10-11,14H,4-7,9H2,1H3,(H2,24,31)(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	460	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In vitro kinase assay using human Mnk1 and Mnk2.				US Patent US8486953 (2013) BindingDB Entry DOI: 10.7270/Q2TM78R3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM98037 (US8486953, 34) Show SMILES CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(nc3OC3CCOCC3)C(F)(F)F)c2c1C Show InChI InChI=1S/C24H29F3N6O3S/c1-14-18-20(29-13-30-23(18)37-19(14)21(34)28-9-4-10-33(2)3)31-16-5-6-17(24(25,26)27)32-22(16)36-15-7-11-35-12-8-15/h5-6,13,15H,4,7-12H2,1-3H3,(H,28,34)(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	560	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In vitro kinase assay using human Mnk1 and Mnk2.				US Patent US8486953 (2013) BindingDB Entry DOI: 10.7270/Q2TM78R3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM98036 (US8486953, 19) Show SMILES COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C Show InChI InChI=1S/C18H18FN3O3S/c1-9(2)25-13-7-11(19)5-6-12(13)22-16-14-10(3)15(18(23)24-4)26-17(14)21-8-20-16/h5-9H,1-4H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	590	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In vitro kinase assay using human Mnk1 and Mnk2.				US Patent US8486953 (2013) BindingDB Entry DOI: 10.7270/Q2TM78R3
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM98037 (US8486953, 34) Show SMILES CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(nc3OC3CCOCC3)C(F)(F)F)c2c1C Show InChI InChI=1S/C24H29F3N6O3S/c1-14-18-20(29-13-30-23(18)37-19(14)21(34)28-9-4-10-33(2)3)31-16-5-6-17(24(25,26)27)32-22(16)36-15-7-11-35-12-8-15/h5-6,13,15H,4,7-12H2,1-3H3,(H,28,34)(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	680	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In vitro kinase assay using human Mnk1 and Mnk2.				US Patent US8486953 (2013) BindingDB Entry DOI: 10.7270/Q2TM78R3
					More data for this Ligand-Target Pair