Compile Data Set for Download or QSAR

Found 679 hits with Last Name = 'duraiswamy' and Initial = 'j'   

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
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50233628 (CHEMBL4088716) Show SMILES C[C@H](Nc1ccc(nc1)-c1ccnn1C)C(=O)Nc1ccc(cn1)-c1cccnc1 |r| Show InChI InChI=1S/C22H21N7O/c1-15(27-18-6-7-19(24-14-18)20-9-11-26-29(20)2)22(30)28-21-8-5-17(13-25-21)16-4-3-10-23-12-16/h3-15,27H,1-2H3,(H,25,28,30)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50233629 (CHEMBL4080842) Show SMILES C[C@H](Nc1ccc(nc1)-c1ccnn1C)C(=O)Nc1ccc(cn1)-c1ccccc1 |r| Show InChI InChI=1S/C23H22N6O/c1-16(27-19-9-10-20(24-15-19)21-12-13-26-29(21)2)23(30)28-22-11-8-18(14-25-22)17-6-4-3-5-7-17/h3-16,27H,1-2H3,(H,25,28,30)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50233636 (CHEMBL4070649) Show SMILES Cc1nccn1-c1ccc(OCC(=O)Nc2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H21N3O2/c1-18-25-15-16-27(18)22-11-13-23(14-12-22)29-17-24(28)26-21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-16H,17H2,1H3,(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50233635 (CHEMBL4099279) Show SMILES Cn1nccc1-c1ccc(OCC(=O)Nc2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H21N3O2/c1-27-23(15-16-25-27)20-9-13-22(14-10-20)29-17-24(28)26-21-11-7-19(8-12-21)18-5-3-2-4-6-18/h2-16H,17H2,1H3,(H,26,28)	PDB UniProtKB/SwissProt 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
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50233630 (CHEMBL4084739) Show SMILES C[C@H](Nc1ccc(cc1)-n1ccnc1)C(=O)Nc1ccc(cn1)-c1ccccc1 |r| Show InChI InChI=1S/C23H21N5O/c1-17(26-20-8-10-21(11-9-20)28-14-13-24-16-28)23(29)27-22-12-7-19(15-25-22)18-5-3-2-4-6-18/h2-17,26H,1H3,(H,25,27,29)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50233633 (CHEMBL4089128) Show SMILES C[C@H](Oc1ccc(cc1)-n1ccnc1)C(=O)Nc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C24H21N3O2/c1-18(29-23-13-11-22(12-14-23)27-16-15-25-17-27)24(28)26-21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-18H,1H3,(H,26,28)/t18-/m0/s1	PDB UniProtKB/SwissProt 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
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255003 (CHEMBL519613 | N-((R)-3-((S)-2-(1H-benzo[d]imidazo...) Show SMILES ON(C[C@@H](CC1CC1)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)C=O |r| Show InChI InChI=1S/C19H24N4O3/c24-12-22(26)11-14(10-13-7-8-13)19(25)23-9-3-6-17(23)18-20-15-4-1-2-5-16(15)21-18/h1-2,4-5,12-14,17,26H,3,6-11H2,(H,20,21)/t14-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255000 (CHEMBL443904 | N-((R)-2-((S)-2-(1H-benzo[d]imidazo...) Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C19H26N4O3/c1-2-3-7-14(12-22(26)13-24)19(25)23-11-6-10-17(23)18-20-15-8-4-5-9-16(15)21-18/h4-5,8-9,13-14,17,26H,2-3,6-7,10-12H2,1H3,(H,20,21)/t14-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50233640 (CHEMBL4098880) Show SMILES C[C@H](Nc1ccc(nc1)-c1ccnn1C)C(=O)Nc1ccc(nc1)-c1cccnc1 |r| Show InChI InChI=1S/C22H21N7O/c1-15(27-17-6-8-20(25-13-17)21-9-11-26-29(21)2)22(30)28-18-5-7-19(24-14-18)16-4-3-10-23-12-16/h3-15,27H,1-2H3,(H,28,30)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255030 (CHEMBL506649 | N-((R)-2-((S)-2-(benzo[d]oxazol-2-y...) Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 |r| Show InChI InChI=1S/C19H25N3O4/c1-2-3-7-14(12-21(25)13-23)19(24)22-11-6-9-16(22)18-20-15-8-4-5-10-17(15)26-18/h4-5,8,10,13-14,16,25H,2-3,6-7,9,11-12H2,1H3/t14-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255032 (CHEMBL465740 | N-((R)-2-((S)-2-(benzo[d]oxazol-2-y...) Show SMILES CCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 |r| Show InChI InChI=1S/C20H27N3O4/c1-2-3-4-8-15(13-22(26)14-24)20(25)23-12-7-10-17(23)19-21-16-9-5-6-11-18(16)27-19/h5-6,9,11,14-15,17,26H,2-4,7-8,10,12-13H2,1H3/t15-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255002 (CHEMBL482180 | N-((R)-2-((S)-2-(1H-benzo[d]imidazo...) Show SMILES CCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C20H28N4O3/c1-2-3-4-8-15(13-23(27)14-25)20(26)24-12-7-11-18(24)19-21-16-9-5-6-10-17(16)22-19/h5-6,9-10,14-15,18,27H,2-4,7-8,11-13H2,1H3,(H,21,22)/t15-,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50233639 (CHEMBL4097104) Show SMILES O=C(COc1ccc(cc1)-n1ccnc1)Nc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H19N3O2/c27-23(16-28-22-12-10-21(11-13-22)26-15-14-24-17-26)25-20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-15,17H,16H2,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255065 ((S)-2-((S)-2-(1H-benzo[d]imidazol-2-yl)pyrrolidine...) Show SMILES CCCC[C@H](C(=O)NO)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C18H24N4O3/c1-2-3-7-12(17(23)21-25)18(24)22-11-6-10-15(22)16-19-13-8-4-5-9-14(13)20-16/h4-5,8-9,12,15,25H,2-3,6-7,10-11H2,1H3,(H,19,20)(H,21,23)/t12-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50233639 (CHEMBL4097104) Show SMILES O=C(COc1ccc(cc1)-n1ccnc1)Nc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H19N3O2/c27-23(16-28-22-12-10-21(11-13-22)26-15-14-24-17-26)25-20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-15,17H,16H2,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255033 (CHEMBL463859 | N-((R)-3-((S)-2-(benzo[d]oxazol-2-y...) Show SMILES ON(C[C@@H](CC1CC1)C(=O)N1CCC[C@H]1c1nc2ccccc2o1)C=O |r| Show InChI InChI=1S/C19H23N3O4/c23-12-21(25)11-14(10-13-7-8-13)19(24)22-9-3-5-16(22)18-20-15-4-1-2-6-17(15)26-18/h1-2,4,6,12-14,16,25H,3,5,7-11H2/t14-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255001 (CHEMBL482179 | N-((R)-2-((S)-2-(1H-benzo[d]imidazo...) Show SMILES CCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C18H24N4O3/c1-2-6-13(11-21(25)12-23)18(24)22-10-5-9-16(22)17-19-14-7-3-4-8-15(14)20-17/h3-4,7-8,12-13,16,25H,2,5-6,9-11H2,1H3,(H,19,20)/t13-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255031 (CHEMBL480220 | N-((R)-2-((S)-2-(benzo[d]oxazol-2-y...) Show SMILES CCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 |r| Show InChI InChI=1S/C18H23N3O4/c1-2-6-13(11-20(24)12-22)18(23)21-10-5-8-15(21)17-19-14-7-3-4-9-16(14)25-17/h3-4,7,9,12-13,15,24H,2,5-6,8,10-11H2,1H3/t13-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50233634 (CHEMBL4081262) Show SMILES O=C(CNc1ccc(cc1)-n1ccnc1)Nc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H20N4O/c28-23(16-25-20-10-12-22(13-11-20)27-15-14-24-17-27)26-21-8-6-19(7-9-21)18-4-2-1-3-5-18/h1-15,17,25H,16H2,(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50233641 (CHEMBL4096832) Show SMILES O=C(Nc1ccc(cc1)-c1ccccc1)[C@@H]1CCCN1c1ccc(cc1)-n1ccnc1 |r| Show InChI InChI=1S/C26H24N4O/c31-26(28-22-10-8-21(9-11-22)20-5-2-1-3-6-20)25-7-4-17-30(25)24-14-12-23(13-15-24)29-18-16-27-19-29/h1-3,5-6,8-16,18-19,25H,4,7,17H2,(H,28,31)/t25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50233637 (CHEMBL4063419) Show SMILES O=C(COc1ccc(cc1)-c1cnco1)Nc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H18N2O3/c26-23(15-27-21-12-8-19(9-13-21)22-14-24-16-28-22)25-20-10-6-18(7-11-20)17-4-2-1-3-5-17/h1-14,16H,15H2,(H,25,26)	PDB UniProtKB/SwissProt 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
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of porcupine (unknown origin) expressed in HEK293-STF3A cells assessed as inhibition of Wnt signaling by measuring decrease in beta-cateni...				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255066 ((S)-2-((S)-2-(benzo[d]oxazol-2-yl)pyrrolidine-1-ca...) Show SMILES CCCC[C@H](C(=O)NO)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 |r| Show InChI InChI=1S/C18H23N3O4/c1-2-3-7-12(16(22)20-24)18(23)21-11-6-9-14(21)17-19-13-8-4-5-10-15(13)25-17/h4-5,8,10,12,14,24H,2-3,6-7,9,11H2,1H3,(H,20,22)/t12-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair				3D Structure (docked)
Peptide deformylase (Mycobacterium tuberculosis)	BDBM50255004 (CHEMBL481391 | N-((R)-3-((S)-2-(1H-benzo[d]imidazo...) Show SMILES ON(C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)C=O |r| Show InChI InChI=1S/C22H24N4O3/c27-15-25(29)14-17(13-16-7-2-1-3-8-16)22(28)26-12-6-11-20(26)21-23-18-9-4-5-10-19(18)24-21/h1-5,7-10,15,17,20,29H,6,11-14H2,(H,23,24)/t17-,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis peptide deformylase expressed in Escherichia coli M15(pREp4) by microplate assay				Bioorg Med Chem Lett 18: 6568-72 (2008) Article DOI: 10.1016/j.bmcl.2008.10.040 BindingDB Entry DOI: 10.7270/Q2VX0GCD
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50233639 (CHEMBL4097104) Show SMILES O=C(COc1ccc(cc1)-n1ccnc1)Nc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H19N3O2/c27-23(16-28-22-12-10-21(11-13-22)26-15-14-24-17-26)25-20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-15,17H,16H2,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
Experimental Therapeutics Centre Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 58: 5889-99 (2015) Article DOI: 10.1021/acs.jmedchem.5b00507 BindingDB Entry DOI: 10.7270/Q29K4DG1
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM375537 (N-(5-(3-(4-cyanophenyl)imidazo[1,2-b]pyridazin-6-y...) Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(cc1NC(C)=O)-c1ccc2ncc(I)n2n1 Show InChI InChI=1S/C22H25IN6O2/c1-14(30)25-19-12-15(18-6-7-21-24-13-20(23)29(21)26-18)4-5-17(19)22(31)28-10-8-16(9-11-28)27(2)3/h4-7,12-13,16H,8-11H2,1-3H3,(H,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM375537 (N-(5-(3-(4-cyanophenyl)imidazo[1,2-b]pyridazin-6-y...) Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(cc1NC(C)=O)-c1ccc2ncc(I)n2n1 Show InChI InChI=1S/C22H25IN6O2/c1-14(30)25-19-12-15(18-6-7-21-24-13-20(23)29(21)26-18)4-5-17(19)22(31)28-10-8-16(9-11-28)27(2)3/h4-7,12-13,16H,8-11H2,1-3H3,(H,25,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM375538 (5-(6-(4-(4-methylpiperazine-1-carbonyl)phenyl)imid...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4NC(=O)Cc4c3)n2n1 Show InChI InChI=1S/C26H24N6O2/c1-30-10-12-31(13-11-30)26(34)18-4-2-17(3-5-18)22-8-9-24-27-16-23(32(24)29-22)19-6-7-21-20(14-19)15-25(33)28-21/h2-9,14,16H,10-13,15H2,1H3,(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM375538 (5-(6-(4-(4-methylpiperazine-1-carbonyl)phenyl)imid...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4NC(=O)Cc4c3)n2n1 Show InChI InChI=1S/C26H24N6O2/c1-30-10-12-31(13-11-30)26(34)18-4-2-17(3-5-18)22-8-9-24-27-16-23(32(24)29-22)19-6-7-21-20(14-19)15-25(33)28-21/h2-9,14,16H,10-13,15H2,1H3,(H,28,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM375539 ((4-(3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-y...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1 Show InChI InChI=1S/C25H23N7O/c1-30-10-12-31(13-11-30)25(33)18-4-2-17(3-5-18)22-8-9-24-26-16-23(32(24)29-22)19-6-7-21-20(14-19)15-27-28-21/h2-9,14-16H,10-13H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM375539 ((4-(3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-y...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1 Show InChI InChI=1S/C25H23N7O/c1-30-10-12-31(13-11-30)25(33)18-4-2-17(3-5-18)22-8-9-24-26-16-23(32(24)29-22)19-6-7-21-20(14-19)15-27-28-21/h2-9,14-16H,10-13H2,1H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM375540 ((4-(3-(1H-benzo[d]imidazol-5-yl)imidazo[1,2-b]pyri...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4[nH]cnc4c3)n2n1 Show InChI InChI=1S/C25H23N7O/c1-30-10-12-31(13-11-30)25(33)18-4-2-17(3-5-18)20-8-9-24-26-15-23(32(24)29-20)19-6-7-21-22(14-19)28-16-27-21/h2-9,14-16H,10-13H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM375540 ((4-(3-(1H-benzo[d]imidazol-5-yl)imidazo[1,2-b]pyri...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4[nH]cnc4c3)n2n1 Show InChI InChI=1S/C25H23N7O/c1-30-10-12-31(13-11-30)25(33)18-4-2-17(3-5-18)20-8-9-24-26-15-23(32(24)29-20)19-6-7-21-22(14-19)28-16-27-21/h2-9,14-16H,10-13H2,1H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM375541 (5-(6-(4-(4-(4-methylpiperazin-1-yl)piperidine-1-ca...) Show SMILES CN1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4NC(=O)Cc4c3)n2n1 Show InChI InChI=1S/C31H33N7O2/c1-35-14-16-36(17-15-35)25-10-12-37(13-11-25)31(40)22-4-2-21(3-5-22)27-8-9-29-32-20-28(38(29)34-27)23-6-7-26-24(18-23)19-30(39)33-26/h2-9,18,20,25H,10-17,19H2,1H3,(H,33,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM375541 (5-(6-(4-(4-(4-methylpiperazin-1-yl)piperidine-1-ca...) Show SMILES CN1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4NC(=O)Cc4c3)n2n1 Show InChI InChI=1S/C31H33N7O2/c1-35-14-16-36(17-15-35)25-10-12-37(13-11-25)31(40)22-4-2-21(3-5-22)27-8-9-29-32-20-28(38(29)34-27)23-6-7-26-24(18-23)19-30(39)33-26/h2-9,18,20,25H,10-17,19H2,1H3,(H,33,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM375542 (5-(6-(4-(4-morpholinopiperidine-1-carbonyl)phenyl)...) Show SMILES O=C(N1CCC(CC1)N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc4NC(=O)Cc4c3)n2n1 Show InChI InChI=1S/C30H30N6O3/c37-29-18-23-17-22(5-6-25(23)32-29)27-19-31-28-8-7-26(33-36(27)28)20-1-3-21(4-2-20)30(38)35-11-9-24(10-12-35)34-13-15-39-16-14-34/h1-8,17,19,24H,9-16,18H2,(H,32,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM375542 (5-(6-(4-(4-morpholinopiperidine-1-carbonyl)phenyl)...) Show SMILES O=C(N1CCC(CC1)N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc4NC(=O)Cc4c3)n2n1 Show InChI InChI=1S/C30H30N6O3/c37-29-18-23-17-22(5-6-25(23)32-29)27-19-31-28-8-7-26(33-36(27)28)20-1-3-21(4-2-20)30(38)35-11-9-24(10-12-35)34-13-15-39-16-14-34/h1-8,17,19,24H,9-16,18H2,(H,32,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM375543 (4-(6-(4-(4-Methylpiperazine-1-carbonyl)phenyl)imid...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1 Show InChI InChI=1S/C26H23N5O/c1-29-12-14-30(15-13-29)26(32)22-8-6-20(7-9-22)23-10-11-25-28-17-24(31(25)18-23)21-4-2-19(16-27)3-5-21/h2-11,17-18H,12-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM375543 (4-(6-(4-(4-Methylpiperazine-1-carbonyl)phenyl)imid...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1 Show InChI InChI=1S/C26H23N5O/c1-29-12-14-30(15-13-29)26(32)22-8-6-20(7-9-22)23-10-11-25-28-17-24(31(25)18-23)21-4-2-19(16-27)3-5-21/h2-11,17-18H,12-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM375544 (4-(6-(4-(morpholine-4-carbonyl)phenyl)imidazo[1,2-...) Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1 Show InChI InChI=1S/C25H20N4O2/c26-15-18-1-3-20(4-2-18)23-16-27-24-10-9-22(17-29(23)24)19-5-7-21(8-6-19)25(30)28-11-13-31-14-12-28/h1-10,16-17H,11-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM375544 (4-(6-(4-(morpholine-4-carbonyl)phenyl)imidazo[1,2-...) Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1 Show InChI InChI=1S/C25H20N4O2/c26-15-18-1-3-20(4-2-18)23-16-27-24-10-9-22(17-29(23)24)19-5-7-21(8-6-19)25(30)28-11-13-31-14-12-28/h1-10,16-17H,11-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM375546 (4-(6-(4-(1,4-oxazepane-4-carbonyl)phenyl imidazo[1...) Show SMILES O=C(N1CCCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1 Show InChI InChI=1S/C26H22N4O2/c27-16-19-2-4-21(5-3-19)24-17-28-25-11-10-23(18-30(24)25)20-6-8-22(9-7-20)26(31)29-12-1-14-32-15-13-29/h2-11,17-18H,1,12-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM375546 (4-(6-(4-(1,4-oxazepane-4-carbonyl)phenyl imidazo[1...) Show SMILES O=C(N1CCCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1 Show InChI InChI=1S/C26H22N4O2/c27-16-19-2-4-21(5-3-19)24-17-28-25-11-10-23(18-30(24)25)20-6-8-22(9-7-20)26(31)29-12-1-14-32-15-13-29/h2-11,17-18H,1,12-15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM375547 (4-(6-(4-(4-ethylpiperazine-1-carbonyl)phenyl)imida...) Show SMILES CCN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1 Show InChI InChI=1S/C27H25N5O/c1-2-30-13-15-31(16-14-30)27(33)23-9-7-21(8-10-23)24-11-12-26-29-18-25(32(26)19-24)22-5-3-20(17-28)4-6-22/h3-12,18-19H,2,13-16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM375547 (4-(6-(4-(4-ethylpiperazine-1-carbonyl)phenyl)imida...) Show SMILES CCN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1 Show InChI InChI=1S/C27H25N5O/c1-2-30-13-15-31(16-14-30)27(33)23-9-7-21(8-10-23)24-11-12-26-29-18-25(32(26)19-24)22-5-3-20(17-28)4-6-22/h3-12,18-19H,2,13-16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM375548 (N-(1-(4-(3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-...) Show SMILES CC(=O)NC1(C)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1 Show InChI InChI=1S/C29H27N5O2/c1-20(35)32-29(2)13-15-33(16-14-29)28(36)24-9-7-22(8-10-24)25-11-12-27-31-18-26(34(27)19-25)23-5-3-21(17-30)4-6-23/h3-12,18-19H,13-16H2,1-2H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM375548 (N-(1-(4-(3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-...) Show SMILES CC(=O)NC1(C)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1 Show InChI InChI=1S/C29H27N5O2/c1-20(35)32-29(2)13-15-33(16-14-29)28(36)24-9-7-22(8-10-24)25-11-12-27-31-18-26(34(27)19-25)23-5-3-21(17-30)4-6-23/h3-12,18-19H,13-16H2,1-2H3,(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM375549 (4-(6-(4-(4-(diethylamino)-4-methylpiperidine-1-car...) Show SMILES CCN(CC)C1(C)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1 Show InChI InChI=1S/C31H33N5O/c1-4-35(5-2)31(3)16-18-34(19-17-31)30(37)26-12-10-24(11-13-26)27-14-15-29-33-21-28(36(29)22-27)25-8-6-23(20-32)7-9-25/h6-15,21-22H,4-5,16-19H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM375549 (4-(6-(4-(4-(diethylamino)-4-methylpiperidine-1-car...) Show SMILES CCN(CC)C1(C)CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1 Show InChI InChI=1S/C31H33N5O/c1-4-35(5-2)31(3)16-18-34(19-17-31)30(37)26-12-10-24(11-13-26)27-14-15-29-33-21-28(36(29)22-27)25-8-6-23(20-32)7-9-25/h6-15,21-22H,4-5,16-19H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM375550 (4-(3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl)-N-...) Show SMILES CN(CC(=O)N1CCOCC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1 Show InChI InChI=1S/C28H25N5O3/c1-31(19-27(34)32-12-14-36-15-13-32)28(35)23-8-6-21(7-9-23)24-10-11-26-30-17-25(33(26)18-24)22-4-2-20(16-29)3-5-22/h2-11,17-18H,12-15,19H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM375550 (4-(3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl)-N-...) Show SMILES CN(CC(=O)N1CCOCC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1 Show InChI InChI=1S/C28H25N5O3/c1-31(19-27(34)32-12-14-36-15-13-32)28(35)23-8-6-21(7-9-23)24-10-11-26-30-17-25(33(26)18-24)22-4-2-20(16-29)3-5-22/h2-11,17-18H,12-15,19H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi					Assay Description MNK1 and MNK2 inhibitor activity was determined using recombinant kinase domains expressed in E. coli. MNK1 and MNK2 were expressed as GST fusion pro...				J Med Chem 50: 3841-50 (2007) BindingDB Entry DOI: 10.7270/Q2XP777K
					More data for this Ligand-Target Pair

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