Compile Data Set for Download or QSAR

Found 75 hits with Last Name = 'tsujii' and Initial = 's'   

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
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50222709 (3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-N-(2-h...) Show SMILES OCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C15H12F3IN2O3/c16-10-3-2-9(15(23)21-24-6-5-22)14(13(10)18)20-12-4-1-8(19)7-11(12)17/h1-4,7,20,22H,5-6H2,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	MMDB US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair				3D Structure (docked)
Beta-1/Beta-2/Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM25764 (ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...) Show SMILES CC(C)NCC(O)COc1ccccc1CC=C Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Compound was evaluated for its Beta adrenergic receptor blocking action				Bioorg Med Chem Lett 11: 1833-7 (2001) BindingDB Entry DOI: 10.7270/Q2KS6TRW
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50218691 (CHEMBL51667) Show SMILES CCOC(=O)c1oc2cccc(OCC(O)CNC(C)(C)C)c2c1C Show InChI InChI=1S/C19H27NO5/c1-6-23-18(22)17-12(2)16-14(8-7-9-15(16)25-17)24-11-13(21)10-20-19(3,4)5/h7-9,13,20-21H,6,10-11H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Compound was evaluated for its Beta adrenergic receptor blocking action				Bioorg Med Chem Lett 11: 1833-7 (2001) BindingDB Entry DOI: 10.7270/Q2KS6TRW
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104963 (CHEMBL507361 | US11147816, PD0325901 | US11701360,...) Show SMILES OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104959 (US8575391, G-2) Show SMILES OCCONC(=O)c1cc(CN2OCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C19H17F3IN3O5/c20-13-8-11(23)1-2-14(13)24-18-12(19(29)25-30-6-4-27)7-10(16(21)17(18)22)9-26-15(28)3-5-31-26/h1-2,7-8,24,27H,3-6,9H2,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104951 (US8575391, F-2) Show SMILES CON(Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F)C(C)=O Show InChI InChI=1S/C19H19F3IN3O5/c1-10(28)26(30-2)9-11-7-13(19(29)25-31-6-5-27)18(17(22)16(11)21)24-15-4-3-12(23)8-14(15)20/h3-4,7-8,24,27H,5-6,9H2,1-2H3,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50338038 (3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-N-(2-h...) Show SMILES OCCONC(=O)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C20H19F3IN3O5/c21-14-9-12(24)3-4-15(14)25-19-13(20(30)26-31-7-5-28)8-11(17(22)18(19)23)10-27-16(29)2-1-6-32-27/h3-4,8-9,25,28H,1-2,5-7,10H2,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB US Patent	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104949 (US8575391, C-31) Show SMILES CS(=O)CCONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F Show InChI InChI=1S/C19H21F3IN3O5S/c1-32(29)7-6-30-24-10-11-8-13(19(28)26-31-5-4-27)18(17(22)16(11)21)25-15-3-2-12(23)9-14(15)20/h2-3,8-9,24-25,27H,4-7,10H2,1H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104939 (US8575391, B-9) Show SMILES OCCONC(=O)c1cc(COCC(O)CO)c(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C19H20F3IN2O6/c20-14-6-11(23)1-2-15(14)24-18-13(19(29)25-31-4-3-26)5-10(16(21)17(18)22)8-30-9-12(28)7-27/h1-2,5-6,12,24,26-28H,3-4,7-9H2,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104945 (US8575391, C-10) Show SMILES OCCCONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F Show InChI InChI=1S/C19H21F3IN3O5/c20-14-9-12(23)2-3-15(14)25-18-13(19(29)26-31-7-5-28)8-11(16(21)17(18)22)10-24-30-6-1-4-27/h2-3,8-9,24-25,27-28H,1,4-7,10H2,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104941 (US8575391, C-1) Show SMILES OCCONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F Show InChI InChI=1S/C18H19F3IN3O5/c19-13-8-11(22)1-2-14(13)24-17-12(18(28)25-30-6-4-27)7-10(15(20)16(17)21)9-23-29-5-3-26/h1-2,7-8,23-24,26-27H,3-6,9H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104936 (US8575391, B-1) Show SMILES OCCOCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F Show InChI InChI=1S/C18H18F3IN2O5/c19-13-8-11(22)1-2-14(13)23-17-12(18(27)24-29-6-4-26)7-10(9-28-5-3-25)15(20)16(17)21/h1-2,7-8,23,25-26H,3-6,9H2,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104938 (US8575391, B-6) Show SMILES OCCCOCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F Show InChI InChI=1S/C19H20F3IN2O5/c20-14-9-12(23)2-3-15(14)24-18-13(19(28)25-30-7-5-27)8-11(16(21)17(18)22)10-29-6-1-4-26/h2-3,8-9,24,26-27H,1,4-7,10H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104946 (US8575391, C-13) Show SMILES CNC(=O)CONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F Show InChI InChI=1S/C19H20F3IN4O5/c1-24-15(29)9-32-25-8-10-6-12(19(30)27-31-5-4-28)18(17(22)16(10)21)26-14-3-2-11(23)7-13(14)20/h2-3,6-7,25-26,28H,4-5,8-9H2,1H3,(H,24,29)(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104955 (US8575391, F-6) Show SMILES COCC(=O)N(Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F)OC Show InChI InChI=1S/C20H21F3IN3O6/c1-31-10-16(29)27(32-2)9-11-7-13(20(30)26-33-6-5-28)19(18(23)17(11)22)25-15-4-3-12(24)8-14(15)21/h3-4,7-8,25,28H,5-6,9-10H2,1-2H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104952 (US8575391, F-3) Show SMILES CCC(=O)N(Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F)OC Show InChI InChI=1S/C20H21F3IN3O5/c1-3-16(29)27(31-2)10-11-8-13(20(30)26-32-7-6-28)19(18(23)17(11)22)25-15-5-4-12(24)9-14(15)21/h4-5,8-9,25,28H,3,6-7,10H2,1-2H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104940 (US8575391, B-12) Show SMILES CS(=O)(=O)CCOCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F Show InChI InChI=1S/C19H20F3IN2O6S/c1-32(28,29)7-6-30-10-11-8-13(19(27)25-31-5-4-26)18(17(22)16(11)21)24-15-3-2-12(23)9-14(15)20/h2-3,8-9,24,26H,4-7,10H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104944 (US8575391, C-8) Show SMILES CS(=O)(=O)CCONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F Show InChI InChI=1S/C19H21F3IN3O6S/c1-33(29,30)7-6-31-24-10-11-8-13(19(28)26-32-5-4-27)18(17(22)16(11)21)25-15-3-2-12(23)9-14(15)20/h2-3,8-9,24-25,27H,4-7,10H2,1H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104937 (US8575391, B-2) Show SMILES OCCOCc1cc(C(=O)NOCCO)c(Nc2ccc(cc2F)C#C)c(F)c1F Show InChI InChI=1S/C20H19F3N2O5/c1-2-12-3-4-16(15(21)9-12)24-19-14(20(28)25-30-8-6-27)10-13(11-29-7-5-26)17(22)18(19)23/h1,3-4,9-10,24,26-27H,5-8,11H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104953 (US8575391, F-4) Show SMILES CON(Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F)C(=O)C(C)C Show InChI InChI=1S/C21H23F3IN3O5/c1-11(2)21(31)28(32-3)10-12-8-14(20(30)27-33-7-6-29)19(18(24)17(12)23)26-16-5-4-13(25)9-15(16)22/h4-5,8-9,11,26,29H,6-7,10H2,1-3H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104950 (US8575391, F-1) Show SMILES CON(Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F)C=O Show InChI InChI=1S/C18H17F3IN3O5/c1-29-25(9-27)8-10-6-12(18(28)24-30-5-4-26)17(16(21)15(10)20)23-14-3-2-11(22)7-13(14)19/h2-3,6-7,9,23,26H,4-5,8H2,1H3,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104960 (US8575391, G-3) Show SMILES CC1(C)CON(Cc2cc(C(=O)NOCCO)c(Nc3ccc(I)cc3F)c(F)c2F)C1=O Show InChI InChI=1S/C21H21F3IN3O5/c1-21(2)10-33-28(20(21)31)9-11-7-13(19(30)27-32-6-5-29)18(17(24)16(11)23)26-15-4-3-12(25)8-14(15)22/h3-4,7-8,26,29H,5-6,9-10H2,1-2H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104962 (US8575391, G-5) Show SMILES OCCONC(=O)c1cc(CN2OCCC2=O)c(F)c(F)c1Nc1ccc(cc1F)C#C Show InChI InChI=1S/C21H18F3N3O5/c1-2-12-3-4-16(15(22)9-12)25-20-14(21(30)26-31-8-6-28)10-13(18(23)19(20)24)11-27-17(29)5-7-32-27/h1,3-4,9-10,25,28H,5-8,11H2,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104954 (US8575391, F-5) Show SMILES CON(Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F)C(=O)CO Show InChI InChI=1S/C19H19F3IN3O6/c1-31-26(15(29)9-28)8-10-6-12(19(30)25-32-5-4-27)18(17(22)16(10)21)24-14-3-2-11(23)7-13(14)20/h2-3,6-7,24,27-28H,4-5,8-9H2,1H3,(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104956 (US8575391, F-7) Show SMILES CON(Cc1cc(C(=O)NOCCO)c(Nc2ccc(cc2F)C#C)c(F)c1F)C(C)=O Show InChI InChI=1S/C21H20F3N3O5/c1-4-13-5-6-17(16(22)9-13)25-20-15(21(30)26-32-8-7-28)10-14(18(23)19(20)24)11-27(31-3)12(2)29/h1,5-6,9-10,25,28H,7-8,11H2,2-3H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104942 (US8575391, C-6) Show SMILES CNC(=O)CCONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F Show InChI InChI=1S/C20H22F3IN4O5/c1-25-16(30)4-6-32-26-10-11-8-13(20(31)28-33-7-5-29)19(18(23)17(11)22)27-15-3-2-12(24)9-14(15)21/h2-3,8-9,26-27,29H,4-7,10H2,1H3,(H,25,30)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104961 (US8575391, G-4) Show SMILES OCCONC(=O)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(cc1F)C#C Show InChI InChI=1S/C22H20F3N3O5/c1-2-13-5-6-17(16(23)10-13)26-21-15(22(31)27-32-9-7-29)11-14(19(24)20(21)25)12-28-18(30)4-3-8-33-28/h1,5-6,10-11,26,29H,3-4,7-9,12H2,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104957 (US8575391, F-8) Show SMILES CCC(=O)N(Cc1cc(C(=O)NOCCO)c(Nc2ccc(cc2F)C#C)c(F)c1F)OC Show InChI InChI=1S/C22H22F3N3O5/c1-4-13-6-7-17(16(23)10-13)26-21-15(22(31)27-33-9-8-29)11-14(19(24)20(21)25)12-28(32-3)18(30)5-2/h1,6-7,10-11,26,29H,5,8-9,12H2,2-3H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104947 (US8575391, C-24) Show SMILES CONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F Show InChI InChI=1S/C17H17F3IN3O4/c1-27-22-8-9-6-11(17(26)24-28-5-4-25)16(15(20)14(9)19)23-13-3-2-10(21)7-12(13)18/h2-3,6-7,22-23,25H,4-5,8H2,1H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104948 (US8575391, C-28) Show SMILES CC(C)(O)CONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F Show InChI InChI=1S/C20H23F3IN3O5/c1-20(2,30)10-32-25-9-11-7-13(19(29)27-31-6-5-28)18(17(23)16(11)22)26-15-4-3-12(24)8-14(15)21/h3-4,7-8,25-26,28,30H,5-6,9-10H2,1-2H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104958 (US8575391, F-9) Show SMILES CON(Cc1cc(C(=O)NOCCO)c(Nc2ccc(cc2F)C#C)c(F)c1F)C(=O)C(C)C Show InChI InChI=1S/C23H24F3N3O5/c1-5-14-6-7-18(17(24)10-14)27-21-16(22(31)28-34-9-8-30)11-15(19(25)20(21)26)12-29(33-4)23(32)13(2)3/h1,6-7,10-11,13,27,30H,8-9,12H2,2-4H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM96235 (4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...) Show SMILES CCOC(=O)c1oc2cccc(OCC(O)CNC(C)C)c2c1C Show InChI InChI=1S/C18H25NO5/c1-5-22-18(21)17-12(4)16-14(7-6-8-15(16)24-17)23-10-13(20)9-19-11(2)3/h6-8,11,13,19-20H,5,9-10H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Compound was evaluated for its Beta adrenergic receptor blocking action				Bioorg Med Chem Lett 11: 1833-7 (2001) BindingDB Entry DOI: 10.7270/Q2KS6TRW
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2 (Homo sapiens (Human))	BDBM50101969 (3-Methyl-4-{3-[(pyridin-3-ylmethyl)-amino]-propoxy...) Show SMILES CCOC(=O)c1oc2cccc(OCCCNCc3cccnc3)c2c1C Show InChI InChI=1S/C21H24N2O4/c1-3-25-21(24)20-15(2)19-17(8-4-9-18(19)27-20)26-12-6-11-23-14-16-7-5-10-22-13-16/h4-5,7-10,13,23H,3,6,11-12,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory activity against Candida albicans N-myristoyltransferase (CaNmt)				Bioorg Med Chem Lett 11: 1833-7 (2001) BindingDB Entry DOI: 10.7270/Q2KS6TRW
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50132260 (2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmetho...) Show SMILES Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F Show InChI InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair				3D Structure (docked)
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104943 (US8575391, C-7) Show SMILES CC(=O)NCCONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F Show InChI InChI=1S/C20H22F3IN4O5/c1-11(30)25-4-6-32-26-10-12-8-14(20(31)28-33-7-5-29)19(18(23)17(12)22)27-16-3-2-13(24)9-15(16)21/h2-3,8-9,26-27,29H,4-7,10H2,1H3,(H,25,30)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2 (Homo sapiens (Human))	BDBM50034993 ((S)-6-Amino-2-[(S)-3-hydroxy-2-(2-{4-[4-(2-methyl-...) Show SMILES Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)cc1 Show InChI InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory activity against Candida albicans N-myristoyltransferase (CaNmt)				Bioorg Med Chem Lett 11: 1833-7 (2001) BindingDB Entry DOI: 10.7270/Q2KS6TRW
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2 (Homo sapiens (Human))	BDBM96235 (4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...) Show SMILES CCOC(=O)c1oc2cccc(OCC(O)CNC(C)C)c2c1C Show InChI InChI=1S/C18H25NO5/c1-5-22-18(21)17-12(4)16-14(7-6-8-15(16)24-17)23-10-13(20)9-19-11(2)3/h6-8,11,13,19-20H,5,9-10H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory activity against Candida albicans N-myristoyltransferase (CaNmt)				Bioorg Med Chem Lett 11: 1833-7 (2001) BindingDB Entry DOI: 10.7270/Q2KS6TRW
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2 (Homo sapiens (Human))	BDBM50218691 (CHEMBL51667) Show SMILES CCOC(=O)c1oc2cccc(OCC(O)CNC(C)(C)C)c2c1C Show InChI InChI=1S/C19H27NO5/c1-6-23-18(22)17-12(2)16-14(8-7-9-15(16)25-17)24-11-13(21)10-20-19(3,4)5/h7-9,13,20-21H,6,10-11H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory activity against Candida albicans N-myristoyltransferase (CaNmt)				Bioorg Med Chem Lett 11: 1833-7 (2001) BindingDB Entry DOI: 10.7270/Q2KS6TRW
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2 (Homo sapiens (Human))	BDBM50218690 (CHEMBL53026) Show SMILES CCOC(=O)c1oc2cccc(OCCCN3CCCCC3)c2c1C Show InChI InChI=1S/C20H27NO4/c1-3-23-20(22)19-15(2)18-16(9-7-10-17(18)25-19)24-14-8-13-21-11-5-4-6-12-21/h7,9-10H,3-6,8,11-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory activity against Candida albicans N-myristoyltransferase (CaNmt)				Bioorg Med Chem Lett 11: 1833-7 (2001) BindingDB Entry DOI: 10.7270/Q2KS6TRW
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2 (Homo sapiens (Human))	BDBM50101968 (4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-...) Show SMILES CCOC(=O)c1oc2cccc(OCCCNC(C)(C)C)c2c1C Show InChI InChI=1S/C19H27NO4/c1-6-22-18(21)17-13(2)16-14(9-7-10-15(16)24-17)23-12-8-11-20-19(3,4)5/h7,9-10,20H,6,8,11-12H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory activity against Candida albicans N-myristoyltransferase (CaNmt)				Bioorg Med Chem Lett 11: 1833-7 (2001) BindingDB Entry DOI: 10.7270/Q2KS6TRW
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2 (Homo sapiens (Human))	BDBM50218696 (CHEMBL299034) Show SMILES CCOC(=O)c1oc2cccc(OCCCNCc3ccccc3)c2c1C Show InChI InChI=1S/C22H25NO4/c1-3-25-22(24)21-16(2)20-18(11-7-12-19(20)27-21)26-14-8-13-23-15-17-9-5-4-6-10-17/h4-7,9-12,23H,3,8,13-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory activity against Candida albicans N-myristoyltransferase (CaNmt)				Bioorg Med Chem Lett 11: 1833-7 (2001) BindingDB Entry DOI: 10.7270/Q2KS6TRW
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2 (Homo sapiens (Human))	BDBM50218743 (CHEMBL53246) Show SMILES CCOC(=O)c1oc2cccc(OCCCCNC(C)(C)C)c2c1C Show InChI InChI=1S/C20H29NO4/c1-6-23-19(22)18-14(2)17-15(10-9-11-16(17)25-18)24-13-8-7-12-21-20(3,4)5/h9-11,21H,6-8,12-13H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory activity against Candida albicans N-myristoyltransferase (CaNmt)				Bioorg Med Chem Lett 11: 1833-7 (2001) BindingDB Entry DOI: 10.7270/Q2KS6TRW
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2 (Homo sapiens (Human))	BDBM50218688 (CHEMBL416300) Show SMILES CCOC(=O)c1oc2cccc(OCCCNC(C)C)c2c1C Show InChI InChI=1S/C18H25NO4/c1-5-21-18(20)17-13(4)16-14(8-6-9-15(16)23-17)22-11-7-10-19-12(2)3/h6,8-9,12,19H,5,7,10-11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory activity against Candida albicans N-myristoyltransferase (CaNmt)				Bioorg Med Chem Lett 11: 1833-7 (2001) BindingDB Entry DOI: 10.7270/Q2KS6TRW
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2 (Homo sapiens (Human))	BDBM50218744 (CHEMBL53257) Show SMILES CCOC(=O)c1oc2cccc(OCCCNCc3cccnc3)c2c1C1CC1 Show InChI InChI=1S/C23H26N2O4/c1-2-27-23(26)22-20(17-9-10-17)21-18(7-3-8-19(21)29-22)28-13-5-12-25-15-16-6-4-11-24-14-16/h3-4,6-8,11,14,17,25H,2,5,9-10,12-13,15H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory activity against Candida albicans N-myristoyltransferase (CaNmt)				Bioorg Med Chem Lett 11: 1833-7 (2001) BindingDB Entry DOI: 10.7270/Q2KS6TRW
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2 (Homo sapiens (Human))	BDBM50218692 (CHEMBL52631) Show SMILES CCOC(=O)c1oc2cccc(OCCCNCc3cccnc3)c2c1CC Show InChI InChI=1S/C22H26N2O4/c1-3-17-20-18(9-5-10-19(20)28-21(17)22(25)26-4-2)27-13-7-12-24-15-16-8-6-11-23-14-16/h5-6,8-11,14,24H,3-4,7,12-13,15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory activity against Candida albicans N-myristoyltransferase (CaNmt)				Bioorg Med Chem Lett 11: 1833-7 (2001) BindingDB Entry DOI: 10.7270/Q2KS6TRW
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2 (Homo sapiens (Human))	BDBM50218694 (CHEMBL52854) Show SMILES CCOC(=O)c1oc2cccc(OCCCCCNC(C)(C)C)c2c1C Show InChI InChI=1S/C21H31NO4/c1-6-24-20(23)19-15(2)18-16(11-10-12-17(18)26-19)25-14-9-7-8-13-22-21(3,4)5/h10-12,22H,6-9,13-14H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory activity against Candida albicans N-myristoyltransferase (CaNmt)				Bioorg Med Chem Lett 11: 1833-7 (2001) BindingDB Entry DOI: 10.7270/Q2KS6TRW
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50101968 (4-(3-tert-Butylamino-propoxy)-3-methyl-benzofuran-...) Show SMILES CCOC(=O)c1oc2cccc(OCCCNC(C)(C)C)c2c1C Show InChI InChI=1S/C19H27NO4/c1-6-22-18(21)17-13(2)16-14(9-7-10-15(16)24-17)23-12-8-11-20-19(3,4)5/h7,9-10,20H,6,8,11-12H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Compound was evaluated for its Beta adrenergic receptor blocking action				Bioorg Med Chem Lett 11: 1833-7 (2001) BindingDB Entry DOI: 10.7270/Q2KS6TRW
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50218688 (CHEMBL416300) Show SMILES CCOC(=O)c1oc2cccc(OCCCNC(C)C)c2c1C Show InChI InChI=1S/C18H25NO4/c1-5-21-18(20)17-13(4)16-14(8-6-9-15(16)23-17)22-11-7-10-19-12(2)3/h6,8-9,12,19H,5,7,10-11H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description In vitro ability of the compound to displace radiolabelled FTI from farnesyltransferase in cultured Ha-ras transformed RAT1 cells				Bioorg Med Chem Lett 11: 1833-7 (2001) BindingDB Entry DOI: 10.7270/Q2KS6TRW
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2 (Homo sapiens (Human))	BDBM50218699 (CHEMBL55282) Show SMILES CCOC(=O)c1oc2cccc(OCCNC(C)(C)C)c2c1C Show InChI InChI=1S/C18H25NO4/c1-6-21-17(20)16-12(2)15-13(8-7-9-14(15)23-16)22-11-10-19-18(3,4)5/h7-9,19H,6,10-11H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory activity against Candida albicans N-myristoyltransferase (CaNmt)				Bioorg Med Chem Lett 11: 1833-7 (2001) BindingDB Entry DOI: 10.7270/Q2KS6TRW
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase 1/2 (Homo sapiens (Human))	BDBM50218697 (CHEMBL51868) Show SMILES CCOC(=O)c1cc2c(OCCCNCc3cccnc3)cccc2o1 Show InChI InChI=1S/C20H22N2O4/c1-2-24-20(23)19-12-16-17(7-3-8-18(16)26-19)25-11-5-10-22-14-15-6-4-9-21-13-15/h3-4,6-9,12-13,22H,2,5,10-11,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory activity against Candida albicans N-myristoyltransferase (CaNmt)				Bioorg Med Chem Lett 11: 1833-7 (2001) BindingDB Entry DOI: 10.7270/Q2KS6TRW
					More data for this Ligand-Target Pair

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