Compile Data Set for Download or QSAR

Found 136 hits with Last Name = 'marsh' and Initial = 'v'   

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))	BDBM50180564 (4-(4-bromo-2-fluorophenylamino)-N-(cyclopropylmeth...) Show SMILES Cn1cc(C(=O)NOCC2CC2)c(Nc2ccc(Br)cc2F)c(F)c1=O Show InChI InChI=1S/C17H16BrF2N3O3/c1-23-7-11(16(24)22-26-8-9-2-3-9)15(14(20)17(23)25)21-13-5-4-10(18)6-12(13)19/h4-7,9,21H,2-3,8H2,1H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibitory activity aginst MEK1				J Med Chem 49: 441-4 (2006) Article DOI: 10.1021/jm050834y BindingDB Entry DOI: 10.7270/Q2571BKQ
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50358043 (CHEMBL1794051 | GW-5074) Show SMILES OC1Nc2ccc(I)cc2C1=Cc1cc(Br)c(O)c(Br)c1 Show InChI InChI=1S/C15H10Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,15,19-21H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against raf kinase.				Bioorg Med Chem Lett 11: 2775-8 (2001) BindingDB Entry DOI: 10.7270/Q2NS0VD5
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50180558 (4-(4-bromo-2-fluorophenylamino)-5-fluoro-N-(2-hydr...) Show SMILES Cn1cc(C(=O)NOCCO)c(Nc2ccc(Br)cc2F)c(F)c1=O Show InChI InChI=1S/C15H14BrF2N3O4/c1-21-7-9(14(23)20-25-5-4-22)13(12(18)15(21)24)19-11-3-2-8(16)6-10(11)17/h2-3,6-7,19,22H,4-5H2,1H3,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibitory activity aginst MEK1				J Med Chem 49: 441-4 (2006) Article DOI: 10.1021/jm050834y BindingDB Entry DOI: 10.7270/Q2571BKQ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50180572 (4-(4-bromo-2-fluorophenylamino)-5-fluoro-1-methyl-...) Show SMILES Cn1cc(C(N)=O)c(Nc2ccc(Br)cc2F)c(F)c1=O Show InChI InChI=1S/C13H10BrF2N3O2/c1-19-5-7(12(17)20)11(10(16)13(19)21)18-9-3-2-6(14)4-8(9)15/h2-5,18H,1H3,(H2,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibitory activity aginst MEK1				J Med Chem 49: 441-4 (2006) Article DOI: 10.1021/jm050834y BindingDB Entry DOI: 10.7270/Q2571BKQ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50180561 (4-(4-bromo-2-fluorophenylamino)-5-fluoro-N-hydroxy...) Show SMILES Cn1cc(C(=O)NO)c(Nc2ccc(Br)cc2F)c(F)c1=O Show InChI InChI=1S/C13H10BrF2N3O3/c1-19-5-7(12(20)18-22)11(10(16)13(19)21)17-9-3-2-6(14)4-8(9)15/h2-5,17,22H,1H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Array BioPharma Curated by ChEMBL					Assay Description Inhibitory activity aginst MEK1				J Med Chem 49: 441-4 (2006) Article DOI: 10.1021/jm050834y BindingDB Entry DOI: 10.7270/Q2571BKQ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50180562 (4-(4-bromo-2-fluorophenylamino)-N-(2-hydroxyethoxy...) Show SMILES Cc1c(Nc2ccc(Br)cc2F)c(cn(C)c1=O)C(=O)NOCCO Show InChI InChI=1S/C16H17BrFN3O4/c1-9-14(19-13-4-3-10(17)7-12(13)18)11(8-21(2)16(9)24)15(23)20-25-6-5-22/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibitory activity aginst MEK1				J Med Chem 49: 441-4 (2006) Article DOI: 10.1021/jm050834y BindingDB Entry DOI: 10.7270/Q2571BKQ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50180556 (4-(4-bromo-2-fluorophenylamino)-N-(2-hydroxyethoxy...) Show SMILES Cn1cc(C(=O)NOCCO)c(Nc2ccc(Br)cc2F)cc1=O Show InChI InChI=1S/C15H15BrFN3O4/c1-20-8-10(15(23)19-24-5-4-21)13(7-14(20)22)18-12-3-2-9(16)6-11(12)17/h2-3,6-8,18,21H,4-5H2,1H3,(H,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibitory activity aginst MEK1				J Med Chem 49: 441-4 (2006) Article DOI: 10.1021/jm050834y BindingDB Entry DOI: 10.7270/Q2571BKQ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50180563 (4-(4-bromo-2-fluorophenylamino)-5-fluoro-1-methyl-...) Show SMILES Cn1cc(C(O)=O)c(Nc2ccc(Br)cc2F)c(F)c1=O Show InChI InChI=1S/C13H9BrF2N2O3/c1-18-5-7(13(20)21)11(10(16)12(18)19)17-9-3-2-6(14)4-8(9)15/h2-5,17H,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibitory activity aginst MEK1				J Med Chem 49: 441-4 (2006) Article DOI: 10.1021/jm050834y BindingDB Entry DOI: 10.7270/Q2571BKQ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50180573 (4-(4-bromo-2-fluorophenylamino)-N-ethoxy-5-fluoro-...) Show SMILES CCONC(=O)c1cn(C)c(=O)c(F)c1Nc1ccc(Br)cc1F Show InChI InChI=1S/C15H14BrF2N3O3/c1-3-24-20-14(22)9-7-21(2)15(23)12(18)13(9)19-11-5-4-8(16)6-10(11)17/h4-7,19H,3H2,1-2H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibitory activity aginst MEK1				J Med Chem 49: 441-4 (2006) Article DOI: 10.1021/jm050834y BindingDB Entry DOI: 10.7270/Q2571BKQ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50180566 (4-(4-bromo-2-fluorophenylamino)-N-(cyclopropylmeth...) Show SMILES Cn1cc(C(=O)NOCC2CC2)c(Nc2ccc(Br)cc2F)cc1=O Show InChI InChI=1S/C17H17BrFN3O3/c1-22-8-12(17(24)21-25-9-10-2-3-10)15(7-16(22)23)20-14-5-4-11(18)6-13(14)19/h4-8,10,20H,2-3,9H2,1H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibitory activity aginst MEK1				J Med Chem 49: 441-4 (2006) Article DOI: 10.1021/jm050834y BindingDB Entry DOI: 10.7270/Q2571BKQ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50180571 (4-(4-bromo-2-fluorophenylamino)-N-(cyclopropylmeth...) Show SMILES Cc1c(Nc2ccc(Br)cc2F)c(cn(C)c1=O)C(=O)NOCC1CC1 Show InChI InChI=1S/C18H19BrFN3O3/c1-10-16(21-15-6-5-12(19)7-14(15)20)13(8-23(2)18(10)25)17(24)22-26-9-11-3-4-11/h5-8,11,21H,3-4,9H2,1-2H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibitory activity aginst MEK1				J Med Chem 49: 441-4 (2006) Article DOI: 10.1021/jm050834y BindingDB Entry DOI: 10.7270/Q2571BKQ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50180570 (4-(4-bromo-2-fluorophenylamino)-5-fluoro-N-methoxy...) Show SMILES CONC(=O)c1cn(C)c(=O)c(F)c1Nc1ccc(Br)cc1F Show InChI InChI=1S/C14H12BrF2N3O3/c1-20-6-8(13(21)19-23-2)12(11(17)14(20)22)18-10-4-3-7(15)5-9(10)16/h3-6,18H,1-2H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibitory activity aginst MEK1				J Med Chem 49: 441-4 (2006) Article DOI: 10.1021/jm050834y BindingDB Entry DOI: 10.7270/Q2571BKQ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50180560 (4-(4-bromo-2-fluorophenylamino)-5-chloro-N-(2-hydr...) Show SMILES Cn1cc(C(=O)NOCCO)c(Nc2ccc(Br)cc2F)c(Cl)c1=O Show InChI InChI=1S/C15H14BrClFN3O4/c1-21-7-9(14(23)20-25-5-4-22)13(12(17)15(21)24)19-11-3-2-8(16)6-10(11)18/h2-3,6-7,19,22H,4-5H2,1H3,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibitory activity aginst MEK1				J Med Chem 49: 441-4 (2006) Article DOI: 10.1021/jm050834y BindingDB Entry DOI: 10.7270/Q2571BKQ
					More data for this Ligand-Target Pair
Peptide deformylase (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50099848 (CHEMBL30051 | N-Hydroxy-2-naphthalen-1-yl-2-(3-tri...) Show SMILES ONC(=O)C(NCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 Show InChI InChI=1S/C20H17F3N2O2/c21-20(22,23)15-8-3-5-13(11-15)12-24-18(19(26)25-27)17-10-4-7-14-6-1-2-9-16(14)17/h1-11,18,24,27H,12H2,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of Peptidyl deformylase (PDF)				Bioorg Med Chem Lett 11: 1355-8 (2001) BindingDB Entry DOI: 10.7270/Q2D50M7N
					More data for this Ligand-Target Pair
Peptide deformylase (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50099846 (CHEMBL29911 | N-Hydroxy-2-(3-methoxy-phenyl)-2-(3-...) Show SMILES COc1cccc(c1)C(NCc1cccc(c1)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C17H17F3N2O3/c1-25-14-7-3-5-12(9-14)15(16(23)22-24)21-10-11-4-2-6-13(8-11)17(18,19)20/h2-9,15,21,24H,10H2,1H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of Peptidyl deformylase (PDF)				Bioorg Med Chem Lett 11: 1355-8 (2001) BindingDB Entry DOI: 10.7270/Q2D50M7N
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50180569 (4-(4-bromo-2-fluorophenylamino)-N-ethoxy-1,5-dimet...) Show SMILES CCONC(=O)c1cn(C)c(=O)c(C)c1Nc1ccc(Br)cc1F Show InChI InChI=1S/C16H17BrFN3O3/c1-4-24-20-15(22)11-8-21(3)16(23)9(2)14(11)19-13-6-5-10(17)7-12(13)18/h5-8,19H,4H2,1-3H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibitory activity aginst MEK1				J Med Chem 49: 441-4 (2006) Article DOI: 10.1021/jm050834y BindingDB Entry DOI: 10.7270/Q2571BKQ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50180567 (4-(4-bromo-2-fluorophenylamino)-N-methoxy-1,5-dime...) Show SMILES CONC(=O)c1cn(C)c(=O)c(C)c1Nc1ccc(Br)cc1F Show InChI InChI=1S/C15H15BrFN3O3/c1-8-13(18-12-5-4-9(16)6-11(12)17)10(14(21)19-23-3)7-20(2)15(8)22/h4-7,18H,1-3H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibitory activity aginst MEK1				J Med Chem 49: 441-4 (2006) Article DOI: 10.1021/jm050834y BindingDB Entry DOI: 10.7270/Q2571BKQ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50180568 (4-(4-bromo-2-fluorophenylamino)-5-fluoro-N,1-dimet...) Show SMILES CNC(=O)c1cn(C)c(=O)c(F)c1Nc1ccc(Br)cc1F Show InChI InChI=1S/C14H12BrF2N3O2/c1-18-13(21)8-6-20(2)14(22)11(17)12(8)19-10-4-3-7(15)5-9(10)16/h3-6,19H,1-2H3,(H,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibitory activity aginst MEK1				J Med Chem 49: 441-4 (2006) Article DOI: 10.1021/jm050834y BindingDB Entry DOI: 10.7270/Q2571BKQ
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50180574 (4-(4-bromo-2-fluorophenylamino)-5-chloro-N-(cyclop...) Show SMILES Cn1cc(C(=O)NOCC2CC2)c(Nc2ccc(Br)cc2F)c(Cl)c1=O Show InChI InChI=1S/C17H16BrClFN3O3/c1-23-7-11(16(24)22-26-8-9-2-3-9)15(14(19)17(23)25)21-13-5-4-10(18)6-12(13)20/h4-7,9,21H,2-3,8H2,1H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibitory activity aginst MEK1				J Med Chem 49: 441-4 (2006) Article DOI: 10.1021/jm050834y BindingDB Entry DOI: 10.7270/Q2571BKQ
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50206833 ((2R)-ethyl 4-((3,5-bis(trifluoromethyl)phenyl)(2-m...) Show SMILES CCOC(=O)N1[C@H](CC)CN(C(c2nnn(C)n2)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(ccc12)C(F)(F)F |w:11.10| Show InChI InChI=1S/C25H23F9N6O2/c1-4-17-12-39(19-11-14(23(26,27)28)6-7-18(19)40(17)22(41)42-5-2)20(21-35-37-38(3)36-21)13-8-15(24(29,30)31)10-16(9-13)25(32,33)34/h6-11,17,20H,4-5,12H2,1-3H3/t17-,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma				Bioorg Med Chem Lett 17: 2608-13 (2007) Article DOI: 10.1016/j.bmcl.2007.01.112 BindingDB Entry DOI: 10.7270/Q2ZG6RXM
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50206833 ((2R)-ethyl 4-((3,5-bis(trifluoromethyl)phenyl)(2-m...) Show SMILES CCOC(=O)N1[C@H](CC)CN(C(c2nnn(C)n2)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(ccc12)C(F)(F)F |w:11.10| Show InChI InChI=1S/C25H23F9N6O2/c1-4-17-12-39(19-11-14(23(26,27)28)6-7-18(19)40(17)22(41)42-5-2)20(21-35-37-38(3)36-21)13-8-15(24(29,30)31)10-16(9-13)25(32,33)34/h6-11,17,20H,4-5,12H2,1-3H3/t17-,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma				Bioorg Med Chem Lett 17: 2608-13 (2007) Article DOI: 10.1016/j.bmcl.2007.01.112 BindingDB Entry DOI: 10.7270/Q2ZG6RXM
					More data for this Ligand-Target Pair
Peptide deformylase (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50099855 (2-(2-Chloro-4,5-dimethoxy-phenyl)-N-hydroxy-acetam...) Show SMILES COc1cc(Cl)c(CC(=O)NO)cc1OC Show InChI InChI=1S/C10H12ClNO4/c1-15-8-3-6(4-10(13)12-14)7(11)5-9(8)16-2/h3,5,14H,4H2,1-2H3,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of Peptidyl deformylase (PDF)				Bioorg Med Chem Lett 11: 1355-8 (2001) BindingDB Entry DOI: 10.7270/Q2D50M7N
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50206852 (CHEMBL394725 | isobutyl 4-((3,5-bis(trifluoromethy...) Show SMILES CCC1CN(C(c2nnn(C)n2)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(ccc2N1C(=O)OCC(C)C)C(F)(F)F |w:5.4,2.1| Show InChI InChI=1S/C27H27F9N6O2/c1-5-19-12-41(21-11-16(25(28,29)30)6-7-20(21)42(19)24(43)44-13-14(2)3)22(23-37-39-40(4)38-23)15-8-17(26(31,32)33)10-18(9-15)27(34,35)36/h6-11,14,19,22H,5,12-13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	232	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma				Bioorg Med Chem Lett 17: 2608-13 (2007) Article DOI: 10.1016/j.bmcl.2007.01.112 BindingDB Entry DOI: 10.7270/Q2ZG6RXM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50095423 (5-tert-Butyl-3-(3-phenyl-ureido)-thiophene-2-carbo...) Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1ccccc1)C(C)(C)C Show InChI InChI=1S/C17H20N2O3S/c1-17(2,3)13-10-12(14(23-13)15(20)22-4)19-16(21)18-11-8-6-5-7-9-11/h5-10H,1-4H3,(H2,18,19,21)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibition of Mitogen-activated protein kinase p38				Bioorg Med Chem Lett 11: 2775-8 (2001) BindingDB Entry DOI: 10.7270/Q2NS0VD5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50105619 (1-(5-tert-Butyl-isoxazol-3-yl)-3-(4-phenoxy-phenyl...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)no1 Show InChI InChI=1S/C20H21N3O3/c1-20(2,3)17-13-18(23-26-17)22-19(24)21-14-9-11-16(12-10-14)25-15-7-5-4-6-8-15/h4-13H,1-3H3,(H2,21,22,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibition of Escherichia coli derived Mitogen-activated protein kinase p38				Bioorg Med Chem Lett 11: 2775-8 (2001) BindingDB Entry DOI: 10.7270/Q2NS0VD5
					More data for this Ligand-Target Pair
Peptide deformylase (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50099849 (2-(2-Fluoro-phenyl)-N-hydroxy-2-(3-trifluoromethyl...) Show SMILES ONC(=O)C(NCc1cccc(c1)C(F)(F)F)c1ccccc1F Show InChI InChI=1S/C16H14F4N2O2/c17-13-7-2-1-6-12(13)14(15(23)22-24)21-9-10-4-3-5-11(8-10)16(18,19)20/h1-8,14,21,24H,9H2,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of Peptidyl deformylase (PDF)				Bioorg Med Chem Lett 11: 1355-8 (2001) BindingDB Entry DOI: 10.7270/Q2D50M7N
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50105619 (1-(5-tert-Butyl-isoxazol-3-yl)-3-(4-phenoxy-phenyl...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)no1 Show InChI InChI=1S/C20H21N3O3/c1-20(2,3)17-13-18(23-26-17)22-19(24)21-14-9-11-16(12-10-14)25-15-7-5-4-6-8-15/h4-13H,1-3H3,(H2,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against raf kinase.				Bioorg Med Chem Lett 11: 2775-8 (2001) BindingDB Entry DOI: 10.7270/Q2NS0VD5
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50206836 (CHEMBL241089 | ethyl 4-(1-(3,5-bis(trifluoromethyl...) Show SMILES CCOC(=O)N1C(CC)CN(C(C(=O)OC)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(ccc12)C(F)(F)F |w:11.10,6.6| Show InChI InChI=1S/C25H23F9N2O4/c1-4-17-12-35(19-11-14(23(26,27)28)6-7-18(19)36(17)22(38)40-5-2)20(21(37)39-3)13-8-15(24(29,30)31)10-16(9-13)25(32,33)34/h6-11,17,20H,4-5,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma				Bioorg Med Chem Lett 17: 2608-13 (2007) Article DOI: 10.1016/j.bmcl.2007.01.112 BindingDB Entry DOI: 10.7270/Q2ZG6RXM
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50206836 (CHEMBL241089 | ethyl 4-(1-(3,5-bis(trifluoromethyl...) Show SMILES CCOC(=O)N1C(CC)CN(C(C(=O)OC)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(ccc12)C(F)(F)F |w:11.10,6.6| Show InChI InChI=1S/C25H23F9N2O4/c1-4-17-12-35(19-11-14(23(26,27)28)6-7-18(19)36(17)22(38)40-5-2)20(21(37)39-3)13-8-15(24(29,30)31)10-16(9-13)25(32,33)34/h6-11,17,20H,4-5,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma				Bioorg Med Chem Lett 17: 2608-13 (2007) Article DOI: 10.1016/j.bmcl.2007.01.112 BindingDB Entry DOI: 10.7270/Q2ZG6RXM
					More data for this Ligand-Target Pair
Peptide deformylase (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50099847 (2-(3,4-Difluoro-phenyl)-N-hydroxy-2-(3-trifluorome...) Show SMILES ONC(=O)C(NCc1cccc(c1)C(F)(F)F)c1ccc(F)c(F)c1 Show InChI InChI=1S/C16H13F5N2O2/c17-12-5-4-10(7-13(12)18)14(15(24)23-25)22-8-9-2-1-3-11(6-9)16(19,20)21/h1-7,14,22,25H,8H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of Peptidyl deformylase (PDF)				Bioorg Med Chem Lett 11: 1355-8 (2001) BindingDB Entry DOI: 10.7270/Q2D50M7N
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50206854 (4-((3,5-bis(trifluoromethyl)phenyl)(2-methyl-2H-te...) Show SMILES CCC1CN(C(c2nnn(C)n2)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(ccc2N1CC1CCCC1)C(F)(F)F |w:5.4,2.1| Show InChI InChI=1S/C28H29F9N6/c1-3-21-15-43(23-13-18(26(29,30)31)8-9-22(23)42(21)14-16-6-4-5-7-16)24(25-38-40-41(2)39-25)17-10-19(27(32,33)34)12-20(11-17)28(35,36)37/h8-13,16,21,24H,3-7,14-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	854	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma				Bioorg Med Chem Lett 17: 2608-13 (2007) Article DOI: 10.1016/j.bmcl.2007.01.112 BindingDB Entry DOI: 10.7270/Q2ZG6RXM
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50206835 (CHEMBL394293 | ethyl 4-((3,5-bis(trifluoromethyl)p...) Show SMILES CCOC(=O)N1C(CC)CN(C(c2nnn(C)n2)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(ccc12)C(F)(F)F |w:11.10,6.6| Show InChI InChI=1S/C25H23F9N6O2/c1-4-17-12-39(19-11-14(23(26,27)28)6-7-18(19)40(17)22(41)42-5-2)20(21-35-37-38(3)36-21)13-8-15(24(29,30)31)10-16(9-13)25(32,33)34/h6-11,17,20H,4-5,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma				Bioorg Med Chem Lett 17: 2608-13 (2007) Article DOI: 10.1016/j.bmcl.2007.01.112 BindingDB Entry DOI: 10.7270/Q2ZG6RXM
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50206835 (CHEMBL394293 | ethyl 4-((3,5-bis(trifluoromethyl)p...) Show SMILES CCOC(=O)N1C(CC)CN(C(c2nnn(C)n2)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(ccc12)C(F)(F)F |w:11.10,6.6| Show InChI InChI=1S/C25H23F9N6O2/c1-4-17-12-39(19-11-14(23(26,27)28)6-7-18(19)40(17)22(41)42-5-2)20(21-35-37-38(3)36-21)13-8-15(24(29,30)31)10-16(9-13)25(32,33)34/h6-11,17,20H,4-5,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma				Bioorg Med Chem Lett 17: 2608-13 (2007) Article DOI: 10.1016/j.bmcl.2007.01.112 BindingDB Entry DOI: 10.7270/Q2ZG6RXM
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50206847 (CHEMBL238932 | butyl 4-((3,5-bis(trifluoromethyl)p...) Show SMILES CCCCOC(=O)N1C(CC)CN(C(c2nnn(C)n2)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(ccc12)C(F)(F)F |w:13.12,8.8| Show InChI InChI=1S/C27H27F9N6O2/c1-4-6-9-44-24(43)42-19(5-2)14-41(21-13-16(25(28,29)30)7-8-20(21)42)22(23-37-39-40(3)38-23)15-10-17(26(31,32)33)12-18(11-15)27(34,35)36/h7-8,10-13,19,22H,4-6,9,14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma				Bioorg Med Chem Lett 17: 2608-13 (2007) Article DOI: 10.1016/j.bmcl.2007.01.112 BindingDB Entry DOI: 10.7270/Q2ZG6RXM
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50105601 (5-tert-Butyl-3-[3-(5-methyl-[1,3,4]thiadiazol-2-yl...) Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1nnc(C)s1)C(C)(C)C Show InChI InChI=1S/C14H18N4O3S2/c1-7-17-18-13(22-7)16-12(20)15-8-6-9(14(2,3)4)23-10(8)11(19)21-5/h6H,1-5H3,(H2,15,16,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against raf kinase.				Bioorg Med Chem Lett 11: 2775-8 (2001) BindingDB Entry DOI: 10.7270/Q2NS0VD5
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50206856 ((2S)-ethyl 4-((3,5-bis(trifluoromethyl)phenyl)(2-m...) Show SMILES CCOC(=O)N1[C@@H](CC)CN(C(c2nnn(C)n2)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(ccc12)C(F)(F)F |w:11.10| Show InChI InChI=1S/C25H23F9N6O2/c1-4-17-12-39(19-11-14(23(26,27)28)6-7-18(19)40(17)22(41)42-5-2)20(21-35-37-38(3)36-21)13-8-15(24(29,30)31)10-16(9-13)25(32,33)34/h6-11,17,20H,4-5,12H2,1-3H3/t17-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma				Bioorg Med Chem Lett 17: 2608-13 (2007) Article DOI: 10.1016/j.bmcl.2007.01.112 BindingDB Entry DOI: 10.7270/Q2ZG6RXM
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50206856 ((2S)-ethyl 4-((3,5-bis(trifluoromethyl)phenyl)(2-m...) Show SMILES CCOC(=O)N1[C@@H](CC)CN(C(c2nnn(C)n2)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(ccc12)C(F)(F)F |w:11.10| Show InChI InChI=1S/C25H23F9N6O2/c1-4-17-12-39(19-11-14(23(26,27)28)6-7-18(19)40(17)22(41)42-5-2)20(21-35-37-38(3)36-21)13-8-15(24(29,30)31)10-16(9-13)25(32,33)34/h6-11,17,20H,4-5,12H2,1-3H3/t17-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma				Bioorg Med Chem Lett 17: 2608-13 (2007) Article DOI: 10.1016/j.bmcl.2007.01.112 BindingDB Entry DOI: 10.7270/Q2ZG6RXM
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50095399 (5-tert-Butyl-3-(3-p-tolyl-ureido)-thiophene-2-carb...) Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C Show InChI InChI=1S/C18H22N2O3S/c1-11-6-8-12(9-7-11)19-17(22)20-13-10-14(18(2,3)4)24-15(13)16(21)23-5/h6-10H,1-5H3,(H2,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against raf kinase.				Bioorg Med Chem Lett 11: 2775-8 (2001) BindingDB Entry DOI: 10.7270/Q2NS0VD5
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50105621 (5-tert-Butyl-3-[3-(5-cyclopropyl-[1,3,4]thiadiazol...) Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1nnc(s1)C1CC1)C(C)(C)C Show InChI InChI=1S/C16H20N4O3S2/c1-16(2,3)10-7-9(11(24-10)13(21)23-4)17-14(22)18-15-20-19-12(25-15)8-5-6-8/h7-8H,5-6H2,1-4H3,(H2,17,18,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against raf kinase.				Bioorg Med Chem Lett 11: 2775-8 (2001) BindingDB Entry DOI: 10.7270/Q2NS0VD5
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50206843 (CHEMBL240675 | ethyl 4-(1-(3,5-bis(trifluoromethyl...) Show SMILES CCOC(=O)N1C(CC)CN(C(C(=O)OC)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(Br)ccc12 |w:11.10,6.6| Show InChI InChI=1S/C24H23BrF6N2O4/c1-4-17-12-32(19-11-16(25)6-7-18(19)33(17)22(35)37-5-2)20(21(34)36-3)13-8-14(23(26,27)28)10-15(9-13)24(29,30)31/h6-11,17,20H,4-5,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma				Bioorg Med Chem Lett 17: 2608-13 (2007) Article DOI: 10.1016/j.bmcl.2007.01.112 BindingDB Entry DOI: 10.7270/Q2ZG6RXM
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50105597 (5-tert-Butyl-3-[3-(5-ethyl-[1,3,4]thiadiazol-2-yl)...) Show SMILES CCc1nnc(NC(=O)Nc2cc(sc2C(=O)OC)C(C)(C)C)s1 Show InChI InChI=1S/C15H20N4O3S2/c1-6-10-18-19-14(24-10)17-13(21)16-8-7-9(15(2,3)4)23-11(8)12(20)22-5/h7H,6H2,1-5H3,(H2,16,17,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against raf kinase.				Bioorg Med Chem Lett 11: 2775-8 (2001) BindingDB Entry DOI: 10.7270/Q2NS0VD5
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50180557 (4-(4-bromo-2-fluorophenylamino)-N-(cyclopropylmeth...) Show SMILES Cn1cc(C(=O)NCC2CC2)c(Nc2ccc(Br)cc2F)c(F)c1=O Show InChI InChI=1S/C17H16BrF2N3O2/c1-23-8-11(16(24)21-7-9-2-3-9)15(14(20)17(23)25)22-13-5-4-10(18)6-12(13)19/h4-6,8-9,22H,2-3,7H2,1H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibitory activity aginst MEK1				J Med Chem 49: 441-4 (2006) Article DOI: 10.1021/jm050834y BindingDB Entry DOI: 10.7270/Q2571BKQ
					More data for this Ligand-Target Pair
Peptide deformylase (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50099856 (CHEMBL29912 | N'-hydroxy-N-1-naphthyl-N-{2-[3-(tri...) Show SMILES ONC(=O)N(CCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 Show InChI InChI=1S/C20H17F3N2O2/c21-20(22,23)16-8-3-5-14(13-16)11-12-25(19(26)24-27)18-10-4-7-15-6-1-2-9-17(15)18/h1-10,13,27H,11-12H2,(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Inhibition of Peptidyl deformylase (PDF)				Bioorg Med Chem Lett 11: 1355-8 (2001) BindingDB Entry DOI: 10.7270/Q2D50M7N
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50206832 (CHEMBL394995 | ethyl 4-((3,5-bis(trifluoromethyl)p...) Show SMILES CCOC(=O)N1C(CC)CN(C(c2nnn(CCO)n2)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(ccc12)C(F)(F)F |w:11.10,6.6| Show InChI InChI=1S/C26H25F9N6O3/c1-3-18-13-39(20-12-15(24(27,28)29)5-6-19(20)41(18)23(43)44-4-2)21(22-36-38-40(37-22)7-8-42)14-9-16(25(30,31)32)11-17(10-14)26(33,34)35/h5-6,9-12,18,21,42H,3-4,7-8,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma				Bioorg Med Chem Lett 17: 2608-13 (2007) Article DOI: 10.1016/j.bmcl.2007.01.112 BindingDB Entry DOI: 10.7270/Q2ZG6RXM
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50206832 (CHEMBL394995 | ethyl 4-((3,5-bis(trifluoromethyl)p...) Show SMILES CCOC(=O)N1C(CC)CN(C(c2nnn(CCO)n2)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(ccc12)C(F)(F)F |w:11.10,6.6| Show InChI InChI=1S/C26H25F9N6O3/c1-3-18-13-39(20-12-15(24(27,28)29)5-6-19(20)41(18)23(43)44-4-2)21(22-36-38-40(37-22)7-8-42)14-9-16(25(30,31)32)11-17(10-14)26(33,34)35/h5-6,9-12,18,21,42H,3-4,7-8,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma				Bioorg Med Chem Lett 17: 2608-13 (2007) Article DOI: 10.1016/j.bmcl.2007.01.112 BindingDB Entry DOI: 10.7270/Q2ZG6RXM
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50206839 (2-((1r,4r)-4-((4-((3,5-bis(trifluoromethyl)phenyl)...) Show SMILES CCC1CN(C(c2nnn(C)n2)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(ccc2N1C[C@H]1CC[C@H](CC(O)=O)CC1)C(F)(F)F |w:5.4,2.1,wU:37.41,wD:34.37,(15.92,-9.74,;14.58,-10.51,;13.24,-9.74,;13.23,-8.21,;11.9,-7.44,;11.89,-5.9,;10.55,-5.13,;9.14,-5.76,;8.11,-4.61,;8.87,-3.27,;8.24,-1.87,;10.38,-3.59,;13.22,-5.12,;14.54,-5.9,;15.83,-5.14,;15.83,-3.65,;14.51,-2.88,;13.21,-3.64,;14.5,-1.31,;14.5,.24,;12.91,-1.32,;16,-1.3,;17.21,-5.93,;18.55,-6.7,;18,-4.55,;16.47,-7.23,;10.57,-8.22,;9.23,-7.45,;7.9,-8.23,;7.91,-9.77,;9.23,-10.53,;10.56,-9.76,;11.91,-10.52,;11.92,-12.07,;10.58,-12.84,;9.24,-12.08,;7.92,-12.85,;7.93,-14.38,;6.58,-15.17,;5.24,-14.4,;5.23,-12.84,;3.91,-15.17,;9.26,-15.15,;10.58,-14.38,;6.56,-7.47,;5.22,-6.7,;7.32,-6.13,;5.79,-8.81,)| Show InChI InChI=1S/C31H33F9N6O2/c1-3-23-16-46(27(28-41-43-44(2)42-28)19-11-21(30(35,36)37)13-22(12-19)31(38,39)40)25-14-20(29(32,33)34)8-9-24(25)45(23)15-18-6-4-17(5-7-18)10-26(47)48/h8-9,11-14,17-18,23,27H,3-7,10,15-16H2,1-2H3,(H,47,48)/t17-,18-,23?,27?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma				Bioorg Med Chem Lett 17: 2608-13 (2007) Article DOI: 10.1016/j.bmcl.2007.01.112 BindingDB Entry DOI: 10.7270/Q2ZG6RXM
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50095428 (5-tert-Butyl-3-(3-p-tolyl-ureido)-1H-pyrrole-2-car...) Show SMILES COC(=O)c1[nH]c(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C Show InChI InChI=1S/C18H23N3O3/c1-11-6-8-12(9-7-11)19-17(23)20-13-10-14(18(2,3)4)21-15(13)16(22)24-5/h6-10,21H,1-5H3,(H2,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against raf kinase.				Bioorg Med Chem Lett 11: 2775-8 (2001) BindingDB Entry DOI: 10.7270/Q2NS0VD5
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50095396 (5-tert-Butyl-3-(3-p-tolyl-ureido)-furan-2-carboxyl...) Show SMILES COC(=O)c1oc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C Show InChI InChI=1S/C18H22N2O4/c1-11-6-8-12(9-7-11)19-17(22)20-13-10-14(18(2,3)4)24-15(13)16(21)23-5/h6-10H,1-5H3,(H2,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against raf kinase.				Bioorg Med Chem Lett 11: 2775-8 (2001) BindingDB Entry DOI: 10.7270/Q2NS0VD5
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50105606 (5-tert-Butyl-3-[3-(4-methyl-thiophen-2-yl)-ureido]...) Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1cc(C)cs1)C(C)(C)C Show InChI InChI=1S/C16H20N2O3S2/c1-9-6-12(22-8-9)18-15(20)17-10-7-11(16(2,3)4)23-13(10)14(19)21-5/h6-8H,1-5H3,(H2,17,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibitory concentration against raf kinase.				Bioorg Med Chem Lett 11: 2775-8 (2001) BindingDB Entry DOI: 10.7270/Q2NS0VD5
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50206853 (CHEMBL397062 | ethyl 4-((3,5-bis(trifluoromethyl)p...) Show SMILES CCOC(=O)N1C(CC)CN(C(c2nnn(CCC#N)n2)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(ccc12)C(F)(F)F |w:11.10,6.6| Show InChI InChI=1S/C27H24F9N7O2/c1-3-19-14-41(21-13-16(25(28,29)30)6-7-20(21)43(19)24(44)45-4-2)22(23-38-40-42(39-23)9-5-8-37)15-10-17(26(31,32)33)12-18(11-15)27(34,35)36/h6-7,10-13,19,22H,3-5,9,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of CETP in human plasma				Bioorg Med Chem Lett 17: 2608-13 (2007) Article DOI: 10.1016/j.bmcl.2007.01.112 BindingDB Entry DOI: 10.7270/Q2ZG6RXM
					More data for this Ligand-Target Pair

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