Compile Data Set for Download or QSAR

Found 464 hits with Last Name = 'deschenes' and Initial = 'd'   

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
Cathepsin K (Oryctolagus cuniculus (rabbit))	BDBM19518 ((2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifl...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)N1CCNCC1)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C26H32F3N5O/c1-18(2)17-23(25(35)32-12-11-30)33-24(26(27,28)29)21-5-3-19(4-6-21)20-7-9-22(10-8-20)34-15-13-31-14-16-34/h3-10,18,23-24,31,33H,12-17H2,1-2H3,(H,32,35)/t23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.00500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				Bioorg Med Chem Lett 16: 1985-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.071 BindingDB Entry DOI: 10.7270/Q237770H
					More data for this Ligand-Target Pair
Cathepsin K (Oryctolagus cuniculus (rabbit))	BDBM19530 ((2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifl...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(C)C)C(=O)NCC#N)C(F)(F)F |r| Show InChI InChI=1S/C23H26F3N3O2/c1-15(2)14-20(22(30)28-13-12-27)29-21(23(24,25)26)18-6-4-16(5-7-18)17-8-10-19(31-3)11-9-17/h4-11,15,20-21,29H,13-14H2,1-3H3,(H,28,30)/t20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				Bioorg Med Chem Lett 16: 1985-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.071 BindingDB Entry DOI: 10.7270/Q237770H
					More data for this Ligand-Target Pair
Cathepsin K (Oryctolagus cuniculus (rabbit))	BDBM19524 ((2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifl...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccccc1F)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C22H23F4N3O/c1-14(2)13-19(21(30)28-12-11-27)29-20(22(24,25)26)16-9-7-15(8-10-16)17-5-3-4-6-18(17)23/h3-10,14,19-20,29H,12-13H2,1-2H3,(H,28,30)/t19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				Bioorg Med Chem Lett 16: 1985-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.071 BindingDB Entry DOI: 10.7270/Q237770H
					More data for this Ligand-Target Pair
Cathepsin K (Oryctolagus cuniculus (rabbit))	BDBM19533 ((2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifl...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C22H25F3N4O3S/c1-14(2)13-19(21(30)28-12-11-26)29-20(22(23,24)25)17-5-3-15(4-6-17)16-7-9-18(10-8-16)33(27,31)32/h3-10,14,19-20,29H,12-13H2,1-2H3,(H,28,30)(H2,27,31,32)/t19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				Bioorg Med Chem Lett 16: 1985-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.071 BindingDB Entry DOI: 10.7270/Q237770H
					More data for this Ligand-Target Pair
Cathepsin K (Oryctolagus cuniculus (rabbit))	BDBM19489 ((2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifl...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C23H26F3N3O3S/c1-15(2)14-20(22(30)28-13-12-27)29-21(23(24,25)26)18-6-4-16(5-7-18)17-8-10-19(11-9-17)33(3,31)32/h4-11,15,20-21,29H,13-14H2,1-3H3,(H,28,30)/t20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				Bioorg Med Chem Lett 16: 1985-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.071 BindingDB Entry DOI: 10.7270/Q237770H
					More data for this Ligand-Target Pair
Cathepsin K (Oryctolagus cuniculus (rabbit))	BDBM19532 ((2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifl...) Show SMILES CSc1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(C)C)C(=O)NCC#N)C(F)(F)F |r| Show InChI InChI=1S/C23H26F3N3OS/c1-15(2)14-20(22(30)28-13-12-27)29-21(23(24,25)26)18-6-4-16(5-7-18)17-8-10-19(31-3)11-9-17/h4-11,15,20-21,29H,13-14H2,1-3H3,(H,28,30)/t20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				Bioorg Med Chem Lett 16: 1985-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.071 BindingDB Entry DOI: 10.7270/Q237770H
					More data for this Ligand-Target Pair
Cathepsin K (Oryctolagus cuniculus (rabbit))	BDBM19544 ((2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifl...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)-c1ccncc1)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C27H27F3N4O/c1-18(2)17-24(26(35)33-16-13-31)34-25(27(28,29)30)23-9-7-20(8-10-23)19-3-5-21(6-4-19)22-11-14-32-15-12-22/h3-12,14-15,18,24-25,34H,16-17H2,1-2H3,(H,33,35)/t24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				Bioorg Med Chem Lett 16: 1985-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.071 BindingDB Entry DOI: 10.7270/Q237770H
					More data for this Ligand-Target Pair
Cathepsin K (Oryctolagus cuniculus (rabbit))	BDBM19538 ((2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifl...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccsc1)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C20H22F3N3OS/c1-13(2)11-17(19(27)25-9-8-24)26-18(20(21,22)23)15-5-3-14(4-6-15)16-7-10-28-12-16/h3-7,10,12-13,17-18,26H,9,11H2,1-2H3,(H,25,27)/t17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				Bioorg Med Chem Lett 16: 1985-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.071 BindingDB Entry DOI: 10.7270/Q237770H
					More data for this Ligand-Target Pair
Cathepsin K (Oryctolagus cuniculus (rabbit))	BDBM19523 ((2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifl...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C22H24F3N3O/c1-15(2)14-19(21(29)27-13-12-26)28-20(22(23,24)25)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15,19-20,28H,13-14H2,1-2H3,(H,27,29)/t19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				Bioorg Med Chem Lett 16: 1985-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.071 BindingDB Entry DOI: 10.7270/Q237770H
					More data for this Ligand-Target Pair
Cathepsin K (Oryctolagus cuniculus (rabbit))	BDBM19537 ((2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifl...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccncc1)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C21H23F3N4O/c1-14(2)13-18(20(29)27-12-9-25)28-19(21(22,23)24)17-5-3-15(4-6-17)16-7-10-26-11-8-16/h3-8,10-11,14,18-19,28H,12-13H2,1-2H3,(H,27,29)/t18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				Bioorg Med Chem Lett 16: 1985-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.071 BindingDB Entry DOI: 10.7270/Q237770H
					More data for this Ligand-Target Pair
Cathepsin K (Oryctolagus cuniculus (rabbit))	BDBM19534 ((2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifl...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C23H26F3N3O3S/c1-15(2)13-20(22(30)28-12-11-27)29-21(23(24,25)26)17-9-7-16(8-10-17)18-5-4-6-19(14-18)33(3,31)32/h4-10,14-15,20-21,29H,12-13H2,1-3H3,(H,28,30)/t20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				Bioorg Med Chem Lett 16: 1985-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.071 BindingDB Entry DOI: 10.7270/Q237770H
					More data for this Ligand-Target Pair
Cathepsin K (Oryctolagus cuniculus (rabbit))	BDBM19539 ((2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifl...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1nccs1)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C19H21F3N4OS/c1-12(2)11-15(17(27)24-8-7-23)26-16(19(20,21)22)13-3-5-14(6-4-13)18-25-9-10-28-18/h3-6,9-10,12,15-16,26H,8,11H2,1-2H3,(H,24,27)/t15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				Bioorg Med Chem Lett 16: 1985-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.071 BindingDB Entry DOI: 10.7270/Q237770H
					More data for this Ligand-Target Pair
Cathepsin K (Oryctolagus cuniculus (rabbit))	BDBM19529 ((2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifl...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(C)cc1)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C23H26F3N3O/c1-15(2)14-20(22(30)28-13-12-27)29-21(23(24,25)26)19-10-8-18(9-11-19)17-6-4-16(3)5-7-17/h4-11,15,20-21,29H,13-14H2,1-3H3,(H,28,30)/t20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				Bioorg Med Chem Lett 16: 1985-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.071 BindingDB Entry DOI: 10.7270/Q237770H
					More data for this Ligand-Target Pair
Cathepsin K (Oryctolagus cuniculus (rabbit))	BDBM19542 ((2S)-2-{[(1S)-1-[4-(1H-1,3-benzodiazol-4-yl)phenyl...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1cccc2[nH]cnc12)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C23H24F3N5O/c1-14(2)12-19(22(32)28-11-10-27)31-21(23(24,25)26)16-8-6-15(7-9-16)17-4-3-5-18-20(17)30-13-29-18/h3-9,13-14,19,21,31H,11-12H2,1-2H3,(H,28,32)(H,29,30)/t19-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				Bioorg Med Chem Lett 16: 1985-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.071 BindingDB Entry DOI: 10.7270/Q237770H
					More data for this Ligand-Target Pair
Cathepsin K (Oryctolagus cuniculus (rabbit))	BDBM19525 ((2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifl...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1cccc(F)c1)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C22H23F4N3O/c1-14(2)12-19(21(30)28-11-10-27)29-20(22(24,25)26)16-8-6-15(7-9-16)17-4-3-5-18(23)13-17/h3-9,13-14,19-20,29H,11-12H2,1-2H3,(H,28,30)/t19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				Bioorg Med Chem Lett 16: 1985-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.071 BindingDB Entry DOI: 10.7270/Q237770H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182242 (US9145391, 14) Show SMILES CC([C@H]1CC[C@@H](CC1)C(O)=O)c1ccc(cn1)-c1cc(C)cc(Nc2cc(ccn2)C(F)(F)F)n1 |r,wU:5.8,wD:2.1,(-1.33,3.08,;,2.31,;1.33,3.08,;2.67,2.31,;4,3.08,;4,4.62,;2.67,5.39,;1.33,4.62,;5.33,5.39,;6.67,4.62,;5.33,6.93,;,.77,;1.33,,;1.33,-1.54,;,-2.31,;-1.33,-1.54,;-1.33,,;,-3.85,;1.33,-4.62,;1.33,-6.16,;2.67,-6.93,;,-6.93,;-1.33,-6.16,;-2.67,-6.93,;-4,-6.16,;-4,-4.62,;-5.33,-3.85,;-6.67,-4.62,;-6.67,-6.16,;-5.33,-6.93,;-5.33,-2.31,;-4,-1.54,;-6.67,-1.54,;-5.33,-.77,;-1.33,-4.62,)| Show InChI InChI=1S/C26H27F3N4O2/c1-15-11-22(32-24(12-15)33-23-13-20(9-10-30-23)26(27,28)29)19-7-8-21(31-14-19)16(2)17-3-5-18(6-4-17)25(34)35/h7-14,16-18H,3-6H2,1-2H3,(H,34,35)(H,30,32,33)/t16?,17-,18-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182241 (US9145391, 13) Show SMILES Cc1cc(Nc2cc(ccn2)C(F)F)nc(c1)-c1ccc(nc1)C(C)(F)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:29.35,wD:26.28,(2.67,-6.93,;1.33,-6.16,;,-6.93,;-1.33,-6.16,;-2.67,-6.93,;-4,-6.16,;-4,-4.62,;-5.33,-3.79,;-6.67,-4.62,;-6.67,-6.16,;-5.33,-6.93,;-5.33,-2.25,;-6.67,-1.48,;-4,-1.48,;-1.33,-4.62,;,-3.85,;1.33,-4.62,;,-2.31,;-1.33,-1.54,;-1.33,,;,.77,;1.33,,;1.33,-1.54,;,2.31,;-1.33,1.54,;-1.33,3.08,;1.33,3.08,;2.67,2.31,;4,3.08,;4,4.62,;2.67,5.39,;1.33,4.62,;5.33,5.39,;6.67,4.62,;5.33,6.93,)| Show InChI InChI=1S/C26H27F3N4O2/c1-15-11-20(32-23(12-15)33-22-13-17(24(27)28)9-10-30-22)18-5-8-21(31-14-18)26(2,29)19-6-3-16(4-7-19)25(34)35/h5,8-14,16,19,24H,3-4,6-7H2,1-2H3,(H,34,35)(H,30,32,33)/t16-,19-,26?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182244 (US9145391, 16) Show SMILES Cc1cc(Nc2cc(ccn2)C(F)F)nc(c1)-c1ccc(nc1)C(C)(O)[C@H]1CC[C@@H](CC1)C([O-])=O |r,wU:29.35,wD:26.28,(4.71,-1.94,;3.38,-1.17,;3.38,.37,;2.04,1.14,;2.04,2.68,;3.38,3.45,;3.38,4.99,;4.71,5.76,;6.05,4.99,;6.05,3.45,;4.71,2.68,;4.71,7.3,;3.38,8.07,;6.05,8.07,;.71,.37,;.71,-1.17,;2.04,-1.94,;-.62,-1.94,;-1.96,-1.17,;-3.29,-1.94,;-3.29,-3.48,;-1.96,-4.25,;-.62,-3.48,;-4.62,-4.25,;-5.39,-2.91,;-3.85,-5.58,;-5.96,-5.02,;-7.29,-4.25,;-8.63,-5.02,;-8.63,-6.56,;-7.29,-7.33,;-5.96,-6.56,;-9.96,-7.33,;-9.96,-8.87,;-11.29,-6.56,)| Show InChI InChI=1S/C26H28F2N4O3/c1-15-11-20(31-23(12-15)32-22-13-17(24(27)28)9-10-29-22)18-5-8-21(30-14-18)26(2,35)19-6-3-16(4-7-19)25(33)34/h5,8-14,16,19,24,35H,3-4,6-7H2,1-2H3,(H,33,34)(H,29,31,32)/p-1/t16-,19-,26?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182038 (US9145391, 1) Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)C(C)(O)C1CC[C@@H](CC1)C(O)=O |r,wD:30.36,(2.03,-5.98,;.7,-5.21,;-.64,-5.98,;-1.97,-5.21,;-3.3,-5.98,;-3.3,-7.52,;-4.64,-8.29,;-4.64,-9.83,;-3.3,-10.6,;-1.97,-9.83,;-1.97,-8.29,;-5.97,-10.6,;-7.3,-11.37,;-6.74,-9.26,;-5.2,-11.93,;-1.97,-3.67,;-.64,-2.9,;.7,-3.67,;-.64,-1.36,;-1.97,-.59,;-1.97,.95,;-.64,1.72,;.7,.95,;.7,-.59,;-.64,3.26,;.9,3.26,;-2.18,3.26,;-.64,4.8,;-1.97,5.57,;-1.97,7.11,;-.64,7.88,;.7,7.11,;.7,5.57,;-.64,9.42,;.7,10.19,;-1.97,10.19,)| Show InChI InChI=1S/C26H27F3N4O3/c1-15-11-20(32-23(12-15)33-22-13-19(9-10-30-22)26(27,28)29)17-5-8-21(31-14-17)25(2,36)18-6-3-16(4-7-18)24(34)35/h5,8-14,16,18,36H,3-4,6-7H2,1-2H3,(H,34,35)(H,30,32,33)/t16-,18?,25?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182052 (US9145391, 1-20) Show SMILES COC1CC(Cc2ccc(cn2)-c2cc(C)cc(Nc3cc(ccn3)C(F)(F)F)n2)CCC1C(O)=O Show InChI InChI=1S/C26H27F3N4O3/c1-15-9-21(32-24(10-15)33-23-13-18(7-8-30-23)26(27,28)29)17-4-5-19(31-14-17)11-16-3-6-20(25(34)35)22(12-16)36-2/h4-5,7-10,13-14,16,20,22H,3,6,11-12H2,1-2H3,(H,34,35)(H,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182062 (US9145391, 1-30) Show SMILES CCC(O)(C1CCC(CC1)C(O)=O)c1ccc(cn1)-c1cc(C)cc(Nc2cc(ccn2)C(F)(F)F)n1 |(-4.98,1.8,;-3.08,1.8,;-1.95,-.26,;-1.18,1.08,;-.41,-.26,;.36,1.08,;1.9,1.08,;2.73,-.26,;1.9,-1.59,;.36,-1.59,;4.27,-.26,;5.04,-1.59,;5.04,1.08,;-1.95,-1.8,;-.62,-2.57,;-.62,-4.11,;-1.95,-4.88,;-3.28,-4.11,;-3.28,-2.57,;-1.95,-6.42,;-.62,-7.19,;-.62,-8.73,;.72,-9.5,;-1.95,-9.5,;-3.28,-8.73,;-4.62,-9.5,;-5.95,-8.73,;-5.95,-7.19,;-7.28,-6.42,;-8.62,-7.19,;-8.62,-8.73,;-7.28,-9.5,;-7.28,-4.88,;-8.62,-4.11,;-6.89,-3.39,;-5.8,-5.28,;-3.28,-7.19,)| Show InChI InChI=1S/C27H29F3N4O3/c1-3-26(37,19-7-4-17(5-8-19)25(35)36)22-9-6-18(15-32-22)21-12-16(2)13-24(33-21)34-23-14-20(10-11-31-23)27(28,29)30/h6,9-15,17,19,37H,3-5,7-8H2,1-2H3,(H,35,36)(H,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182063 (US9145391, 1-31) Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)C(O)(C1CC1)C1CCC(CC1)C(O)=O |(.43,-10.27,;-.9,-9.5,;-2.23,-10.27,;-3.57,-9.5,;-4.9,-10.27,;-6.23,-9.5,;-6.23,-7.96,;-7.57,-7.19,;-8.9,-7.96,;-8.9,-9.5,;-7.57,-10.27,;-7.57,-5.65,;-8.9,-4.88,;-7.17,-4.16,;-6.08,-6.05,;-3.57,-7.96,;-2.23,-7.19,;-.9,-7.96,;-2.23,-5.65,;-.9,-4.88,;-.9,-3.34,;-2.23,-2.57,;-3.57,-3.34,;-3.57,-4.88,;-2.23,-1.03,;-1.46,.31,;-3.36,1.03,;-3.36,2.57,;-4.7,1.8,;-.69,-1.03,;.08,.31,;1.62,.31,;2.44,-1.03,;1.62,-2.36,;.08,-2.36,;3.98,-1.03,;4.75,-2.36,;4.75,.31,)| Show InChI InChI=1S/C28H29F3N4O3/c1-16-12-22(34-25(13-16)35-24-14-21(10-11-32-24)28(29,30)31)18-4-9-23(33-15-18)27(38,20-7-8-20)19-5-2-17(3-6-19)26(36)37/h4,9-15,17,19-20,38H,2-3,5-8H2,1H3,(H,36,37)(H,32,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182065 (US9145391, 1-33) Show SMILES CC(O)(C1CCC(CC1)C(O)=O)c1ccc(cn1)-c1cc(cc(Nc2cc(ccn2)C(F)F)n1)C1CC1 |(-3.1,1.33,;-2.33,,;-1.56,1.33,;-.79,,;-.02,1.33,;1.52,1.33,;2.34,,;1.52,-1.33,;-.02,-1.33,;3.88,-0,;4.65,-1.33,;4.65,1.33,;-2.33,-1.54,;-1,-2.31,;-1,-3.85,;-2.33,-4.62,;-3.67,-3.85,;-3.67,-2.31,;-2.33,-6.16,;-1,-6.93,;-1,-8.47,;-2.33,-9.24,;-3.67,-8.47,;-5,-9.24,;-6.34,-8.47,;-6.34,-6.93,;-7.67,-6.16,;-9,-6.93,;-9,-8.47,;-7.67,-9.24,;-7.67,-4.62,;-9,-3.85,;-6.67,-3.68,;-3.67,-6.93,;.33,-9.24,;.33,-10.78,;1.87,-9.24,)| Show InChI InChI=1S/C28H30F2N4O3/c1-28(37,21-7-4-17(5-8-21)27(35)36)23-9-6-19(15-32-23)22-12-20(16-2-3-16)14-25(33-22)34-24-13-18(26(29)30)10-11-31-24/h6,9-17,21,26,37H,2-5,7-8H2,1H3,(H,35,36)(H,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182067 (US9145391, 1-35) Show SMILES CC1CC(CCC1C(O)=O)C(C)(O)c1ccc(cn1)-c1cc(C)cc(Nc2cc(ccn2)C(F)F)n1 Show InChI InChI=1S/C27H30F2N4O3/c1-15-10-21(32-24(11-15)33-23-13-17(25(28)29)8-9-30-23)18-4-7-22(31-14-18)27(3,36)19-5-6-20(26(34)35)16(2)12-19/h4,7-11,13-14,16,19-20,25,36H,5-6,12H2,1-3H3,(H,34,35)(H,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182098 (US9145391, 3-2 | US9145391, 3-3) Show SMILES CC1CC(CCC1C(O)=O)Nc1ccc(cn1)-c1cc(C)cc(Nc2cc(ccn2)C(F)(F)F)n1 Show InChI InChI=1S/C25H26F3N5O2/c1-14-9-20(32-23(10-14)33-22-12-17(7-8-29-22)25(26,27)28)16-3-6-21(30-13-16)31-18-4-5-19(24(34)35)15(2)11-18/h3,6-10,12-13,15,18-19H,4-5,11H2,1-2H3,(H,30,31)(H,34,35)(H,29,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182100 (US9145391, 3-4 | US9145391, 3-5) Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(NC2CCC(C(O)=O)C(C)(C)C2)nc1 Show InChI InChI=1S/C26H28F3N5O2/c1-15-10-20(33-23(11-15)34-22-12-17(8-9-30-22)26(27,28)29)16-4-7-21(31-14-16)32-18-5-6-19(24(35)36)25(2,3)13-18/h4,7-12,14,18-19H,5-6,13H2,1-3H3,(H,31,32)(H,35,36)(H,30,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182147 (US9145391, 4-44) Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(NC2CCN(CC2)C(=O)c2ccc3cccnc3n2)nc1 Show InChI InChI=1S/C31H27F3N8O/c1-19-15-25(39-28(16-19)41-27-17-22(8-12-35-27)31(32,33)34)21-5-7-26(37-18-21)38-23-9-13-42(14-10-23)30(43)24-6-4-20-3-2-11-36-29(20)40-24/h2-8,11-12,15-18,23H,9-10,13-14H2,1H3,(H,37,38)(H,35,39,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182240 (US9145391, 12) Show SMILES Cc1cc(Nc2cc(ccn2)C(F)F)nc(c1)-c1ccc(nc1)C(C)(O)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:29.35,wD:26.28,(2.67,-6.93,;1.33,-6.16,;,-6.93,;-1.33,-6.16,;-2.67,-6.93,;-4,-6.16,;-4,-4.62,;-5.33,-3.79,;-6.67,-4.62,;-6.67,-6.16,;-5.33,-6.93,;-5.33,-2.25,;-6.67,-1.48,;-4,-1.48,;-1.33,-4.62,;,-3.85,;1.33,-4.62,;,-2.31,;-1.33,-1.54,;-1.33,,;,.77,;1.33,,;1.33,-1.54,;,2.31,;-1.33,1.54,;-1.33,3.08,;1.33,3.08,;2.67,2.31,;4,3.08,;4,4.62,;2.67,5.39,;1.33,4.62,;5.33,5.39,;6.67,4.62,;5.33,6.93,)| Show InChI InChI=1S/C26H28F2N4O3/c1-15-11-20(31-23(12-15)32-22-13-17(24(27)28)9-10-29-22)18-5-8-21(30-14-18)26(2,35)19-6-3-16(4-7-19)25(33)34/h5,8-14,16,19,24,35H,3-4,6-7H2,1-2H3,(H,33,34)(H,29,31,32)/t16-,19-,26?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182298 (US9145391, 12-2) Show SMILES Cc1cc(Nc2cc(ccn2)C(F)F)nc(c1)-c1ccc(C[C@H](O)C2CCC(CC2)C(O)=O)nc1 |wD:22.24,(11.91,-5,;10.58,-4.23,;9.25,-5,;7.91,-4.23,;6.58,-5,;6.58,-6.54,;7.91,-7.31,;7.91,-8.85,;6.58,-9.62,;5.25,-8.85,;5.25,-7.31,;9.25,-9.62,;10.58,-8.85,;9.25,-11.16,;7.91,-2.69,;9.25,-1.92,;10.58,-2.69,;9.25,-.38,;7.91,.39,;7.91,1.93,;9.25,2.7,;9.25,4.24,;7.91,5.01,;6.58,4.24,;7.91,6.55,;9.25,7.32,;9.25,8.86,;7.91,9.63,;6.58,8.86,;6.58,7.32,;7.91,11.17,;6.58,11.94,;9.25,11.94,;10.58,1.93,;10.58,.39,)| Show InChI InChI=1S/C26H28F2N4O3/c1-15-10-21(31-24(11-15)32-23-12-18(25(27)28)8-9-29-23)19-6-7-20(30-14-19)13-22(33)16-2-4-17(5-3-16)26(34)35/h6-12,14,16-17,22,25,33H,2-5,13H2,1H3,(H,34,35)(H,29,31,32)/t16?,17?,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Cathepsin K (Oryctolagus cuniculus (rabbit))	BDBM19526 ((2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifl...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(F)cc1)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C22H23F4N3O/c1-14(2)13-19(21(30)28-12-11-27)29-20(22(24,25)26)17-5-3-15(4-6-17)16-7-9-18(23)10-8-16/h3-10,14,19-20,29H,12-13H2,1-2H3,(H,28,30)/t19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				Bioorg Med Chem Lett 16: 1985-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.071 BindingDB Entry DOI: 10.7270/Q237770H
					More data for this Ligand-Target Pair
Cathepsin K (Oryctolagus cuniculus (rabbit))	BDBM19522 ((2S)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroeth...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C16H19BrF3N3O/c1-10(2)9-13(15(24)22-8-7-21)23-14(16(18,19)20)11-3-5-12(17)6-4-11/h3-6,10,13-14,23H,8-9H2,1-2H3,(H,22,24)/t13-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				Bioorg Med Chem Lett 16: 1985-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.071 BindingDB Entry DOI: 10.7270/Q237770H
					More data for this Ligand-Target Pair
Cathepsin K (Oryctolagus cuniculus (rabbit))	BDBM19531 ((2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(4-cyanophenyl)...) Show SMILES CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C#N)C(F)(F)F)C(=O)NCC#N |r| Show InChI InChI=1S/C23H23F3N4O/c1-15(2)13-20(22(31)29-12-11-27)30-21(23(24,25)26)19-9-7-18(8-10-19)17-5-3-16(14-28)4-6-17/h3-10,15,20-21,30H,12-13H2,1-2H3,(H,29,31)/t20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				Bioorg Med Chem Lett 16: 1985-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.071 BindingDB Entry DOI: 10.7270/Q237770H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182098 (US9145391, 3-2 | US9145391, 3-3) Show SMILES CC1CC(CCC1C(O)=O)Nc1ccc(cn1)-c1cc(C)cc(Nc2cc(ccn2)C(F)(F)F)n1 Show InChI InChI=1S/C25H26F3N5O2/c1-14-9-20(32-23(10-14)33-22-12-17(7-8-29-22)25(26,27)28)16-3-6-21(30-13-16)31-18-4-5-19(24(34)35)15(2)11-18/h3,6-10,12-13,15,18-19H,4-5,11H2,1-2H3,(H,30,31)(H,34,35)(H,29,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182094 (US9145391, 2-31) Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)N1CC(CC1=O)C(O)=O Show InChI InChI=1S/C22H18F3N5O3/c1-12-6-16(28-18(7-12)29-17-9-15(4-5-26-17)22(23,24)25)13-2-3-19(27-10-13)30-11-14(21(32)33)8-20(30)31/h2-7,9-10,14H,8,11H2,1H3,(H,32,33)(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182089 (US9145391, 2-24) Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(NC2CCC(CC2)C(O)=O)nc1 |(-11.08,-4.01,;-10.31,-2.67,;-11.08,-1.34,;-10.31,-.01,;-11.08,1.33,;-10.31,2.66,;-8.76,2.66,;-7.99,3.99,;-8.76,5.33,;-10.31,5.33,;-11.08,3.99,;-6.45,3.99,;-5.68,5.33,;-5.64,2.62,;-4.91,3.99,;-8.76,-.01,;-7.99,-1.34,;-8.76,-2.67,;-6.45,-1.34,;-5.68,-2.67,;-4.14,-2.67,;-3.37,-1.34,;-2.41,.38,;-.87,.38,;-.1,1.72,;1.44,1.72,;2.26,.39,;1.44,-.95,;-.1,-.95,;3.8,.39,;4.57,-.95,;4.57,1.72,;-4.14,-.01,;-5.68,-.01,)| Show InChI InChI=1S/C24H24F3N5O2/c1-14-10-19(31-22(11-14)32-21-12-17(8-9-28-21)24(25,26)27)16-4-7-20(29-13-16)30-18-5-2-15(3-6-18)23(33)34/h4,7-13,15,18H,2-3,5-6H2,1H3,(H,29,30)(H,33,34)(H,28,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM60638 (BDBM182292 | US9145391, 2-19) Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(NC(C)(C)C(O)=O)nc1 Show InChI InChI=1S/C21H20F3N5O2/c1-12-8-15(13-4-5-16(26-11-13)29-20(2,3)19(30)31)27-18(9-12)28-17-10-14(6-7-25-17)21(22,23)24/h4-11H,1-3H3,(H,26,29)(H,30,31)(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182068 (US9145391, 1-36) Show SMILES CC(=O)C(C)(C1CCC(CC1)C(O)=O)c1ccc(cn1)-c1cc(C)cc(Nc2cc(ccn2)C(F)F)n1 |(2.04,-3.23,;1.27,-1.9,;2.04,-.56,;-.27,-1.9,;-1.81,-1.9,;-.27,-.36,;1.06,.41,;1.06,1.95,;-.27,2.72,;-1.6,1.95,;-1.6,.41,;-.27,4.26,;1.06,5.03,;-1.6,5.03,;-.27,-3.44,;1.06,-4.21,;1.06,-5.75,;-.27,-6.52,;-1.6,-5.75,;-1.6,-4.21,;-.27,-8.06,;1.06,-8.83,;1.06,-10.37,;2.4,-11.14,;-.27,-11.14,;-1.6,-10.37,;-2.94,-11.14,;-4.27,-10.37,;-4.27,-8.83,;-5.6,-8.06,;-6.94,-8.83,;-6.94,-10.37,;-5.6,-11.14,;-5.6,-6.52,;-6.94,-5.75,;-4.23,-5.71,;-1.6,-8.83,)| Show InChI InChI=1S/C28H30F2N4O3/c1-16-12-22(33-25(13-16)34-24-14-19(26(29)30)10-11-31-24)20-6-9-23(32-15-20)28(3,17(2)35)21-7-4-18(5-8-21)27(36)37/h6,9-15,18,21,26H,4-5,7-8H2,1-3H3,(H,36,37)(H,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182066 (US9145391, 1-34) Show SMILES CC(C)(O)c1cc(Nc2cc(ccn2)C(F)F)nc(c1)-c1ccc(nc1)C(C)(O)C1CCC(CC1)C(O)=O |(1.67,-8.47,;.33,-9.24,;.33,-10.78,;1.67,-10.01,;-1,-8.47,;-2.33,-9.24,;-3.67,-8.47,;-5,-9.24,;-6.34,-8.47,;-6.34,-6.93,;-7.67,-6.16,;-9,-6.93,;-9,-8.47,;-7.67,-9.24,;-7.67,-4.62,;-9,-3.85,;-6.24,-3.86,;-3.67,-6.93,;-2.33,-6.16,;-1,-6.93,;-2.33,-4.62,;-1,-3.85,;-1,-2.31,;-2.33,-1.54,;-3.67,-2.31,;-3.67,-3.85,;-2.33,,;-3.1,1.33,;-1.56,1.33,;-.79,,;-.02,1.33,;1.52,1.33,;2.34,,;1.52,-1.33,;-.02,-1.33,;3.88,-0,;4.65,-1.33,;4.65,1.33,)| Show InChI InChI=1S/C28H32F2N4O4/c1-27(2,37)20-13-21(33-24(14-20)34-23-12-17(25(29)30)10-11-31-23)18-6-9-22(32-15-18)28(3,38)19-7-4-16(5-8-19)26(35)36/h6,9-16,19,25,37-38H,4-5,7-8H2,1-3H3,(H,35,36)(H,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182064 (US9145391, 1-32) Show SMILES Cc1cc(Nc2cc(ccn2)C2CC2)nc(c1)-c1ccc(nc1)C(C)(O)C1CCC(CC1)C(O)=O |(.33,-9.24,;-1,-8.47,;-2.33,-9.24,;-3.67,-8.47,;-5,-9.24,;-6.34,-8.47,;-6.34,-6.93,;-7.67,-6.16,;-9,-6.93,;-9,-8.47,;-7.67,-9.24,;-7.67,-4.62,;-8.89,-3.68,;-6.61,-3.63,;-3.67,-6.93,;-2.33,-6.16,;-1,-6.93,;-2.33,-4.62,;-1,-3.85,;-1,-2.31,;-2.33,-1.54,;-3.67,-2.31,;-3.67,-3.85,;-2.33,,;-3.1,1.33,;-1.56,1.33,;-.79,,;-.02,1.33,;1.52,1.33,;2.34,,;1.52,-1.33,;-.02,-1.33,;3.88,-0,;4.65,-1.33,;4.65,1.33,)| Show InChI InChI=1S/C28H32N4O3/c1-17-13-23(31-26(14-17)32-25-15-20(11-12-29-25)18-3-4-18)21-7-10-24(30-16-21)28(2,35)22-8-5-19(6-9-22)27(33)34/h7,10-16,18-19,22,35H,3-6,8-9H2,1-2H3,(H,33,34)(H,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182061 (US9145391, 1-29) Show SMILES Cc1cc(Nc2cc(OC(C)(C)C)ccn2)nc(c1)-c1ccc(nc1)C(C)(O)C1CCC(CC1)C(O)=O |(.33,-9.24,;-1,-8.47,;-2.33,-9.24,;-3.67,-8.47,;-5,-9.24,;-6.34,-8.47,;-6.34,-6.93,;-7.67,-6.16,;-7.67,-4.62,;-6.34,-3.85,;-5.94,-2.36,;-5.11,-4.79,;-7.56,-2.91,;-9,-6.93,;-9,-8.47,;-7.67,-9.24,;-3.67,-6.93,;-2.33,-6.16,;-1,-6.93,;-2.33,-4.62,;-1,-3.85,;-1,-2.31,;-2.33,-1.54,;-3.67,-2.31,;-3.67,-3.85,;-2.33,,;-3.1,1.33,;-1.56,1.33,;-.79,,;-.02,1.33,;1.52,1.33,;2.34,,;1.52,-1.33,;-.02,-1.33,;3.88,-0,;4.65,-1.33,;4.65,1.33,)| Show InChI InChI=1S/C29H36N4O4/c1-18-14-23(32-26(15-18)33-25-16-22(12-13-30-25)37-28(2,3)4)20-8-11-24(31-17-20)29(5,36)21-9-6-19(7-10-21)27(34)35/h8,11-17,19,21,36H,6-7,9-10H2,1-5H3,(H,34,35)(H,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182060 (US9145391, 1-28) Show SMILES Cc1cc(Nc2cc(ccn2)C(C)(C)C)nc(c1)-c1ccc(nc1)C(C)(O)C1CCC(CC1)C(O)=O |(.33,-9.24,;-1,-8.47,;-2.33,-9.24,;-3.67,-8.47,;-5,-9.24,;-6.34,-8.47,;-6.34,-6.93,;-7.67,-6.16,;-9,-6.93,;-9,-8.47,;-7.67,-9.24,;-7.67,-4.62,;-9,-3.85,;-7.27,-3.13,;-6.18,-5.02,;-3.67,-6.93,;-2.33,-6.16,;-1,-6.93,;-2.33,-4.62,;-1,-3.85,;-1,-2.31,;-2.33,-1.54,;-3.67,-2.31,;-3.67,-3.85,;-2.33,,;-3.1,1.33,;-1.56,1.33,;-.79,,;-.02,1.33,;1.52,1.33,;2.34,,;1.52,-1.33,;-.02,-1.33,;3.88,-0,;4.65,-1.33,;4.65,1.33,)| Show InChI InChI=1S/C29H36N4O3/c1-18-14-23(32-26(15-18)33-25-16-22(12-13-30-25)28(2,3)4)20-8-11-24(31-17-20)29(5,36)21-9-6-19(7-10-21)27(34)35/h8,11-17,19,21,36H,6-7,9-10H2,1-5H3,(H,34,35)(H,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182059 (US9145391, 1-27) Show SMILES Cc1cc(Nc2cc(c(F)cn2)C(C)(C)C)nc(c1)-c1ccc(nc1)C(C)(O)C1CCC(CC1)C(O)=O |(.33,-9.24,;-1,-8.47,;-2.33,-9.24,;-3.67,-8.47,;-5,-9.24,;-6.34,-8.47,;-6.34,-6.93,;-7.67,-6.16,;-9,-6.93,;-10.34,-6.16,;-9,-8.47,;-7.67,-9.24,;-7.67,-4.62,;-9,-3.85,;-7.27,-3.13,;-6.18,-5.02,;-3.67,-6.93,;-2.33,-6.16,;-1,-6.93,;-2.33,-4.62,;-1,-3.85,;-1,-2.31,;-2.33,-1.54,;-3.67,-2.31,;-3.67,-3.85,;-2.33,,;-3.1,1.33,;-1.56,1.33,;-.79,,;-.02,1.33,;1.52,1.33,;2.34,,;1.52,-1.33,;-.02,-1.33,;3.88,-0,;4.65,-1.33,;4.65,1.33,)| Show InChI InChI=1S/C29H35FN4O3/c1-17-12-23(33-26(13-17)34-25-14-21(28(2,3)4)22(30)16-32-25)19-8-11-24(31-15-19)29(5,37)20-9-6-18(7-10-20)27(35)36/h8,11-16,18,20,37H,6-7,9-10H2,1-5H3,(H,35,36)(H,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182055 (US9145391, 1-23 | US9145391, 1-24 | US9145391, 1-2...) Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)C1(O)CCC(C(O)=O)C(C)(C)C1 Show InChI InChI=1S/C26H27F3N4O3/c1-15-10-19(32-22(11-15)33-21-12-17(7-9-30-21)26(27,28)29)16-4-5-20(31-13-16)25(36)8-6-18(23(34)35)24(2,3)14-25/h4-5,7,9-13,18,36H,6,8,14H2,1-3H3,(H,34,35)(H,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182055 (US9145391, 1-23 | US9145391, 1-24 | US9145391, 1-2...) Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)C1(O)CCC(C(O)=O)C(C)(C)C1 Show InChI InChI=1S/C26H27F3N4O3/c1-15-10-19(32-22(11-15)33-21-12-17(7-9-30-21)26(27,28)29)16-4-5-20(31-13-16)25(36)8-6-18(23(34)35)24(2,3)14-25/h4-5,7,9-13,18,36H,6,8,14H2,1-3H3,(H,34,35)(H,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182053 (US9145391, 1-21 | US9145391, 1-22) Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)C1(O)CCCc2cc(ccc12)C(O)=O Show InChI InChI=1S/C28H23F3N4O3/c1-16-11-22(34-25(12-16)35-24-14-20(8-10-32-24)28(29,30)31)19-5-7-23(33-15-19)27(38)9-2-3-17-13-18(26(36)37)4-6-21(17)27/h4-8,10-15,38H,2-3,9H2,1H3,(H,36,37)(H,32,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182050 (US9145391, 1-18) Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)C1(O)CCC(CC1)C(O)=O |(-1.28,-9.05,;-2.37,-7.96,;-3.85,-8.36,;-4.94,-7.27,;-6.43,-7.67,;-7.52,-6.58,;-7.12,-5.09,;-8.21,-4,;-9.7,-4.4,;-10.1,-5.89,;-9.01,-6.98,;-7.81,-2.52,;-8.9,-1.43,;-7.04,-1.18,;-6.48,-3.29,;-4.54,-5.78,;-3.06,-5.38,;-1.97,-6.47,;-2.66,-3.9,;-1.17,-3.5,;-.77,-2.01,;-1.86,-.92,;-3.35,-1.32,;-3.75,-2.81,;-1.46,.57,;-3.16,1.7,;-.69,1.9,;.85,1.9,;1.67,.57,;.85,-.77,;-.69,-.77,;3.21,.57,;3.98,-.77,;3.98,1.9,)| Show InChI InChI=1S/C24H23F3N4O3/c1-14-10-18(30-21(11-14)31-20-12-17(6-9-28-20)24(25,26)27)16-2-3-19(29-13-16)23(34)7-4-15(5-8-23)22(32)33/h2-3,6,9-13,15,34H,4-5,7-8H2,1H3,(H,32,33)(H,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM60650 (US9145391, 23) Show SMILES CN=C.[H][C@@]1(CC[C@H](CO)CC1)C(C)(O)c1ccc(cn1)-c1cc(C)cc(Nc2cc(ccn2)C(F)F)n1 |r,wD:4.2,7.6,(6.64,-4.64,;7.41,-3.31,;6.64,-1.97,;-4.95,-.87,;-3.62,-1.64,;-3.62,-.1,;-2.28,.67,;-.95,-.1,;.39,.67,;1.72,-.1,;-.95,-1.64,;-2.28,-2.41,;-4.95,-2.41,;-3.62,-3.18,;-4.95,-3.95,;-6.28,-1.64,;-7.62,-2.41,;-8.95,-1.64,;-8.95,-.1,;-7.62,.67,;-6.28,-.1,;-10.28,.67,;-11.62,-.1,;-12.95,.67,;-14.29,-.1,;-12.95,2.21,;-11.62,2.98,;-11.62,4.52,;-10.28,5.29,;-8.95,4.52,;-7.62,5.29,;-7.62,6.83,;-8.95,7.6,;-10.28,6.83,;-6.28,4.52,;-4.95,5.29,;-6.27,2.92,;-10.28,2.21,)| Show InChI InChI=1S/C26H30F2N4O2.C2H5N/c1-16-11-21(31-24(12-16)32-23-13-18(25(27)28)9-10-29-23)19-5-8-22(30-14-19)26(2,34)20-6-3-17(15-33)4-7-20;1-3-2/h5,8-14,17,20,25,33-34H,3-4,6-7,15H2,1-2H3,(H,29,31,32);1H2,2H3/t17-,20-,26?;	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182180 (US9145391, 4-77) Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(NC2CCN(CC2)C(=O)Cc2cccnc2)nc1 Show InChI InChI=1S/C29H28F3N7O/c1-19-13-24(37-27(14-19)38-26-16-22(6-10-34-26)29(30,31)32)21-4-5-25(35-18-21)36-23-7-11-39(12-8-23)28(40)15-20-3-2-9-33-17-20/h2-6,9-10,13-14,16-18,23H,7-8,11-12,15H2,1H3,(H,35,36)(H,34,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182140 (US9145391, 4-37) Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(NC2CCN(CC2)C(=O)c2cnn3cccnc23)nc1 Show InChI InChI=1S/C29H26F3N9O/c1-18-13-23(38-26(14-18)39-25-15-20(5-9-33-25)29(30,31)32)19-3-4-24(35-16-19)37-21-6-11-40(12-7-21)28(42)22-17-36-41-10-2-8-34-27(22)41/h2-5,8-10,13-17,21H,6-7,11-12H2,1H3,(H,35,37)(H,33,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM182107 (US9145391, 4-4) Show SMILES Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(NC2CCN(CC2)C(=O)c2ccc3CNC(=O)c3c2)nc1 Show InChI InChI=1S/C31H28F3N7O2/c1-18-12-25(39-28(13-18)40-27-15-22(6-9-35-27)31(32,33)34)21-4-5-26(36-17-21)38-23-7-10-41(11-8-23)30(43)19-2-3-20-16-37-29(42)24(20)14-19/h2-6,9,12-15,17,23H,7-8,10-11,16H2,1H3,(H,36,38)(H,37,42)(H,35,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp.; Merck Canada Inc. US Patent					Assay Description A recombinant GST-hSyk fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-Syk (Carna Bi...				US Patent US9145391 (2015) BindingDB Entry DOI: 10.7270/Q2SQ8Z5V
					More data for this Ligand-Target Pair

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