Found 33 hits of Enzyme Inhibition Constant Data 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 |
|---|
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212267
(US9290490, Example 1 (faster eluting isomer))Show SMILES Cc1cc(Nc2nccc(n2)C(F)(F)F)cc(c1)-c1cnc(s1)[C@@](C)(O)[C@H]1CC[C@@H](CC1)C(O)=O |wU:23.27,26.28,wD:29.35,23.25,(-.18,14.64,;1.16,13.87,;2.49,14.64,;3.82,13.87,;5.16,14.64,;5.16,16.18,;3.82,16.95,;3.82,18.49,;5.16,19.26,;6.49,18.49,;6.49,16.95,;7.82,19.26,;9.16,20.03,;8.59,17.93,;7.05,20.6,;3.82,12.33,;2.49,11.56,;1.16,12.33,;2.49,10.02,;1.24,9.12,;1.72,7.65,;3.26,7.65,;3.73,9.12,;4.16,6.41,;5.41,7.31,;2.92,5.5,;5.07,5.16,;6.6,5.32,;7.51,4.08,;6.88,2.67,;5.35,2.51,;4.44,3.75,;7.78,1.42,;9.32,1.58,;7.16,.02,)| Show InChI InChI=1S/C24H25F3N4O3S/c1-13-9-15(11-17(10-13)30-22-28-8-7-19(31-22)24(25,26)27)18-12-29-21(35-18)23(2,34)16-5-3-14(4-6-16)20(32)33/h7-12,14,16,34H,3-6H2,1-2H3,(H,32,33)(H,28,30,31)/t14-,16-,23-/m0/s1 | 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 | <0.5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212258
(US9290490, Example 15)Show SMILES C[C@@](O)([C@H]1CC[C@@H](CC1)C(O)=O)c1ncc(s1)-c1cc(CO)cc(Nc2nccc(n2)C(F)(F)F)c1 |r,wU:1.1,6.9,wD:1.12,3.8,(-.42,-5.66,;.83,-4.75,;2.07,-3.85,;1.73,-6,;1.11,-7.4,;2.01,-8.65,;3.54,-8.49,;4.17,-7.08,;3.27,-5.84,;4.45,-9.73,;5.98,-9.57,;3.82,-11.14,;-.08,-3.5,;-1.62,-3.5,;-2.09,-2.04,;-.85,-1.13,;.4,-2.04,;-.85,.41,;.49,1.18,;.49,2.72,;1.82,3.49,;3.15,2.72,;-.85,3.49,;-2.18,2.72,;-3.51,3.49,;-3.51,5.03,;-2.18,5.8,;-2.18,7.34,;-3.51,8.11,;-4.85,7.34,;-4.85,5.8,;-6.18,8.11,;-7.51,8.88,;-5.41,9.44,;-6.95,6.77,;-2.18,1.18,)| Show InChI InChI=1S/C24H25F3N4O4S/c1-23(35,16-4-2-14(3-5-16)20(33)34)21-29-11-18(36-21)15-8-13(12-32)9-17(10-15)30-22-28-7-6-19(31-22)24(25,26)27/h6-11,14,16,32,35H,2-5,12H2,1H3,(H,33,34)(H,28,30,31)/t14-,16-,23-/m1/s1 | 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 | <0.5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212229
(US9290490, 1-18)Show SMILES CC(O)(C1CCC(CC1)C(O)=O)c1ncc(s1)-c1cccc(Nc2ncc(F)c(n2)C2CC2)c1 |(.12,1.44,;.89,.11,;1.66,1.44,;2.43,.11,;3.2,-1.22,;4.74,-1.22,;5.57,.11,;4.74,1.44,;3.2,1.44,;7.11,.11,;7.88,1.44,;7.88,-1.22,;.12,-1.22,;-1.42,-1.22,;-1.9,-2.69,;-.65,-3.59,;.6,-2.69,;-.65,-5.13,;.68,-5.9,;.68,-7.44,;-.65,-8.21,;-1.98,-7.44,;-3.32,-8.21,;-4.65,-7.44,;-5.98,-8.21,;-7.32,-7.44,;-7.32,-5.9,;-8.81,-5.5,;-5.98,-5.13,;-4.65,-5.9,;-5.98,-3.59,;-7.32,-2.82,;-5.23,-2.82,;-1.98,-5.9,)| Show InChI InChI=1S/C25H27FN4O3S/c1-25(33,17-9-7-15(8-10-17)22(31)32)23-27-13-20(34-23)16-3-2-4-18(11-16)29-24-28-12-19(26)21(30-24)14-5-6-14/h2-4,11-15,17,33H,5-10H2,1H3,(H,31,32)(H,28,29,30) | 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 | <0.5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212238
(US9290490, 2-77)Show SMILES CC(C)c1ccnc(Nc2cc(C)cc(c2)-c2cnc(s2)C(C)(O)C2CCC(CC2)C(O)=O)n1 |(-5.09,-3.04,;-6.42,-3.81,;-7.51,-2.72,;-6.42,-5.35,;-7.76,-6.18,;-7.76,-7.72,;-6.42,-8.49,;-5.09,-7.72,;-3.76,-8.49,;-2.42,-7.72,;-1.09,-8.49,;.24,-7.72,;1.58,-8.49,;.24,-6.18,;-1.09,-5.41,;-2.42,-6.18,;-1.09,-3.87,;-2.34,-2.96,;-1.86,-1.5,;-.32,-1.5,;.16,-2.96,;.45,-.17,;1.22,1.17,;-.32,1.17,;1.99,-.17,;2.76,-1.5,;4.3,-1.5,;5.13,-.17,;4.3,1.17,;2.76,1.17,;6.67,-.17,;7.44,1.17,;7.44,-1.5,;-5.09,-6.18,)| Show InChI InChI=1S/C26H32N4O3S/c1-15(2)21-9-10-27-25(30-21)29-20-12-16(3)11-18(13-20)22-14-28-24(34-22)26(4,33)19-7-5-17(6-8-19)23(31)32/h9-15,17,19,33H,5-8H2,1-4H3,(H,31,32)(H,27,29,30) | 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 | <0.5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212261
(US9290490, Example 18)Show SMILES CC(O)([C@H]1CC[C@@H](CC1)C(O)=O)c1ncc(s1)-c1cc(Nc2nccc(n2)C(F)(F)F)cc(c1)C(F)F |r,wU:6.9,wD:3.2,(4.78,1.69,;3.3,1.29,;4.38,.2,;2.9,2.78,;3.99,3.87,;3.59,5.35,;2.1,5.75,;1.01,4.66,;1.41,3.18,;1.7,7.24,;2.79,8.33,;.21,7.64,;2.21,.2,;.67,.2,;.19,-1.26,;1.44,-2.17,;2.68,-1.26,;1.44,-3.71,;.1,-4.48,;.1,-6.02,;-1.23,-6.79,;-2.56,-6.02,;-3.9,-6.79,;-5.23,-6.02,;-5.23,-4.48,;-3.9,-3.65,;-2.56,-4.48,;-3.9,-2.11,;-3.9,-.57,;-2.36,-2.11,;-5.44,-2.11,;1.44,-6.79,;2.77,-6.02,;2.77,-4.48,;4.1,-6.79,;5.44,-6.02,;4.1,-8.33,)| Show InChI InChI=1S/C24H23F5N4O3S/c1-23(36,15-4-2-12(3-5-15)20(34)35)21-31-11-17(37-21)13-8-14(19(25)26)10-16(9-13)32-22-30-7-6-18(33-22)24(27,28)29/h6-12,15,19,36H,2-5H2,1H3,(H,34,35)(H,30,32,33)/t12-,15-,23? | 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 | <0.5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212230
(US9290490, 2-1)Show SMILES Cc1cc(Nc2nccc(n2)C(F)(F)F)cc(c1)-c1cnc(s1)C(C)(O)C1CCC(CC1)C(O)=O |(1.74,-8.38,;.41,-7.61,;-.92,-8.38,;-2.26,-7.61,;-3.59,-8.38,;-4.93,-7.61,;-6.26,-8.38,;-7.59,-7.61,;-7.59,-6.07,;-6.26,-5.24,;-4.93,-6.07,;-6.26,-3.7,;-6.26,-2.16,;-4.72,-3.7,;-7.8,-3.7,;-2.26,-6.07,;-.92,-5.3,;.41,-6.07,;-.92,-3.76,;-2.17,-2.85,;-1.69,-1.39,;-.15,-1.39,;.32,-2.85,;.62,-.06,;1.39,1.28,;-.15,1.28,;2.16,-.06,;2.93,-1.39,;4.47,-1.39,;5.29,-.06,;4.47,1.28,;2.93,1.28,;6.83,-.06,;7.6,1.28,;7.6,-1.39,)| Show InChI InChI=1S/C24H25F3N4O3S/c1-13-9-15(11-17(10-13)30-22-28-8-7-19(31-22)24(25,26)27)18-12-29-21(35-18)23(2,34)16-5-3-14(4-6-16)20(32)33/h7-12,14,16,34H,3-6H2,1-2H3,(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
| US Patent
| n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212259
(US9290490, Example 16)Show SMILES CC(O)([C@H]1CC[C@@H](CC1)C(O)=O)c1ncc(s1)-c1cc(Nc2nccc(n2)C(F)(F)F)cc(c1)C1CC1 |r,wU:3.2,wD:6.9,(-.99,4.16,;.5,3.76,;.9,5.25,;1.99,3.36,;2.39,4.85,;3.88,5.25,;5.02,4.18,;4.57,2.67,;3.08,2.28,;6.51,4.58,;7.59,3.49,;6.9,6.06,;.1,2.28,;-1.44,2.28,;-1.91,.81,;-.67,-.09,;.58,.81,;-.67,-1.63,;-2,-2.4,;-2,-3.94,;-3.33,-4.71,;-4.67,-3.94,;-6,-4.71,;-7.33,-3.94,;-7.33,-2.4,;-6,-1.58,;-4.67,-2.4,;-6,-.04,;-6,1.5,;-7.54,-.04,;-4.46,-.04,;-.67,-4.71,;.67,-3.94,;.67,-2.4,;2,-4.71,;2.77,-6.05,;3.54,-4.71,)| Show InChI InChI=1S/C26H27F3N4O3S/c1-25(36,18-6-4-15(5-7-18)22(34)35)23-31-13-20(37-23)17-10-16(14-2-3-14)11-19(12-17)32-24-30-9-8-21(33-24)26(27,28)29/h8-15,18,36H,2-7H2,1H3,(H,34,35)(H,30,32,33)/t15-,18-,25? | 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.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212227
(US9290490, 1-3)Show SMILES CC(C)(C1C[C@@H]1[C@](C)(O)c1ncc(s1)-c1cccc(Nc2nccc(n2)C(F)(F)F)c1)C(O)=O |r| Show InChI InChI=1S/C23H23F3N4O3S/c1-21(2,19(31)32)14-10-15(14)22(3,33)18-28-11-16(34-18)12-5-4-6-13(9-12)29-20-27-8-7-17(30-20)23(24,25)26/h4-9,11,14-15,33H,10H2,1-3H3,(H,31,32)(H,27,29,30)/t14?,15-,22-/m0/s1 | 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.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212244
(US9290490, 2-110)Show SMILES COC(C)([C@H]1CC[C@@H](CC1)C(O)=O)c1ncc(s1)-c1cc(C)cc(Nc2nccc(n2)C(F)(F)F)c1 |r,wU:4.3,wD:7.10,(-2.66,1.77,;-1.12,1.77,;-.35,.44,;.42,1.77,;1.19,.44,;1.96,1.77,;3.5,1.77,;4.33,.44,;3.5,-.89,;1.96,-.89,;5.87,.44,;6.64,-.89,;6.64,1.77,;-1.12,-.89,;-2.66,-.89,;-3.13,-2.36,;-1.89,-3.26,;-.64,-2.36,;-1.89,-4.8,;-.55,-5.57,;-.55,-7.11,;.78,-7.88,;-1.89,-7.88,;-3.22,-7.11,;-4.55,-7.88,;-5.89,-7.11,;-7.22,-7.88,;-8.55,-7.11,;-8.55,-5.57,;-7.22,-4.75,;-5.89,-5.57,;-7.22,-3.21,;-8.55,-2.44,;-7.22,-1.67,;-5.89,-2.44,;-3.22,-5.57,)| Show InChI InChI=1S/C25H27F3N4O3S/c1-14-10-16(12-18(11-14)31-23-29-9-8-20(32-23)25(26,27)28)19-13-30-22(36-19)24(2,35-3)17-6-4-15(5-7-17)21(33)34/h8-13,15,17H,4-7H2,1-3H3,(H,33,34)(H,29,31,32)/t15-,17-,24? | 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.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212242
(US9290490, 2-114)Show SMILES CC(=O)C1CCC(CC1)C(C)(O)c1ncc(s1)-c1cccc(Nc2nccc(CF)n2)c1 |(6.5,1.17,;5.73,-.17,;6.5,-1.5,;4.19,-.17,;3.37,-1.5,;1.83,-1.5,;1.06,-.17,;1.83,1.17,;3.37,1.17,;-.48,-.17,;.29,1.17,;-1.25,1.17,;-1.25,-1.5,;-2.79,-1.5,;-3.27,-2.96,;-2.02,-3.87,;-.78,-2.96,;-2.02,-5.41,;-.69,-6.18,;-.69,-7.72,;-2.02,-8.49,;-3.36,-7.72,;-4.69,-8.49,;-6.03,-7.72,;-7.36,-8.49,;-8.69,-7.72,;-8.69,-6.18,;-7.36,-5.35,;-7.36,-3.81,;-6.03,-3.04,;-6.03,-6.18,;-3.36,-6.18,)| Show InChI InChI=1S/C24H27FN4O2S/c1-15(30)16-6-8-18(9-7-16)24(2,31)22-27-14-21(32-22)17-4-3-5-19(12-17)28-23-26-11-10-20(13-25)29-23/h3-5,10-12,14,16,18,31H,6-9,13H2,1-2H3,(H,26,28,29) | 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.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212233
(US9290490, 2-52)Show SMILES Cc1cc(Nc2nccc(C)n2)cc(c1)-c1cnc(s1)C(C)(O)C1CCC(CC1)C(O)=O |(2.18,-7.99,;.85,-7.22,;-.48,-7.99,;-1.82,-7.22,;-3.15,-7.99,;-4.49,-7.22,;-5.82,-7.99,;-7.15,-7.22,;-7.15,-5.68,;-5.82,-4.86,;-5.82,-3.32,;-4.49,-5.68,;-1.82,-5.68,;-.48,-4.91,;.85,-5.68,;-.48,-3.37,;-1.73,-2.47,;-1.25,-1,;.29,-1,;.76,-2.47,;1.06,.33,;1.83,1.66,;.29,1.66,;2.6,.33,;3.37,-1,;4.91,-1,;5.73,.33,;4.91,1.66,;3.37,1.66,;7.27,.33,;8.04,1.66,;8.04,-1,)| Show InChI InChI=1S/C24H28N4O3S/c1-14-10-17(12-19(11-14)28-23-25-9-8-15(2)27-23)20-13-26-22(32-20)24(3,31)18-6-4-16(5-7-18)21(29)30/h8-13,16,18,31H,4-7H2,1-3H3,(H,29,30)(H,25,27,28) | 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.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212260
(US9290490, Example 17)Show SMILES C[C@](O)([C@H]1CC[C@@H](CC1)C(O)=O)c1ncc(s1)-c1cc(F)cc(Nc2nccc(n2)C(F)(F)F)c1 |r,wU:1.1,3.8,wD:1.0,6.9,(.45,4.78,;.85,3.3,;1.94,4.38,;2.33,2.9,;3.42,3.99,;4.91,3.59,;5.36,2.09,;4.22,1.01,;2.73,1.41,;6.85,1.69,;7.25,.2,;7.94,2.78,;-.24,2.21,;-1.78,2.21,;-2.26,.74,;-1.01,-.16,;.23,.74,;-1.01,-1.7,;.32,-2.47,;.32,-4.01,;1.66,-4.78,;-1.01,-4.78,;-2.35,-4.01,;-3.68,-4.78,;-5.01,-4.01,;-6.35,-4.78,;-7.68,-4.01,;-7.68,-2.47,;-6.35,-1.65,;-5.01,-2.47,;-6.35,-.11,;-6.35,1.43,;-7.89,-.11,;-4.81,-.11,;-2.35,-2.47,)| Show InChI InChI=1S/C23H22F4N4O3S/c1-22(34,14-4-2-12(3-5-14)19(32)33)20-29-11-17(35-20)13-8-15(24)10-16(9-13)30-21-28-7-6-18(31-21)23(25,26)27/h6-12,14,34H,2-5H2,1H3,(H,32,33)(H,28,30,31)/t12-,14-,22-/m0/s1 | 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.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212268
(US9290490, Example 1 (slower eluting enantiomer))Show SMILES Cc1cc(Nc2nccc(n2)C(F)(F)F)cc(c1)-c1cnc(s1)[C@](C)(O)[C@H]1CC[C@@H](CC1)C(O)=O |wU:23.25,26.28,wD:29.35,23.27,(-.18,14.64,;1.16,13.87,;2.49,14.64,;3.82,13.87,;5.16,14.64,;5.16,16.18,;3.82,16.95,;3.82,18.49,;5.16,19.26,;6.49,18.49,;6.49,16.95,;7.82,19.26,;9.16,20.03,;8.59,17.93,;7.05,20.6,;3.82,12.33,;2.49,11.56,;1.16,12.33,;2.49,10.02,;1.24,9.12,;1.72,7.65,;3.26,7.65,;3.73,9.12,;4.16,6.41,;5.41,7.31,;2.92,5.5,;5.07,5.16,;6.6,5.32,;7.51,4.08,;6.88,2.67,;5.35,2.51,;4.44,3.75,;7.78,1.42,;9.32,1.58,;7.16,.02,)| Show InChI InChI=1S/C24H25F3N4O3S/c1-13-9-15(11-17(10-13)30-22-28-8-7-19(31-22)24(25,26)27)18-12-29-21(35-18)23(2,34)16-5-3-14(4-6-16)20(32)33/h7-12,14,16,34H,3-6H2,1-2H3,(H,32,33)(H,28,30,31)/t14-,16-,23-/m1/s1 | 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 | 2 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212240
(US9290490, 2-101)Show SMILES Cc1cc(Nc2nccc(C)n2)cc(c1)-c1cnc(s1)C(O)(C1CCC(CC1)C(O)=O)C(F)(F)F |(1.58,-8.27,;.24,-7.5,;-1.09,-8.27,;-2.42,-7.5,;-3.76,-8.27,;-5.09,-7.5,;-6.42,-8.27,;-7.76,-7.5,;-7.76,-5.96,;-6.42,-5.13,;-6.42,-3.59,;-5.09,-5.96,;-2.42,-5.96,;-1.09,-5.19,;.24,-5.96,;-1.09,-3.65,;-2.34,-2.74,;-1.86,-1.28,;-.32,-1.28,;.16,-2.74,;.45,.06,;-.32,1.39,;1.99,.06,;2.76,-1.28,;4.3,-1.28,;5.13,.06,;4.3,1.39,;2.76,1.39,;6.67,.06,;7.44,1.39,;7.44,-1.28,;1.22,1.39,;.45,2.72,;1.99,2.72,;2.55,2.16,)| Show InChI InChI=1S/C24H25F3N4O3S/c1-13-9-16(11-18(10-13)31-22-28-8-7-14(2)30-22)19-12-29-21(35-19)23(34,24(25,26)27)17-5-3-15(4-6-17)20(32)33/h7-12,15,17,34H,3-6H2,1-2H3,(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
| US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212246
(US9290490, 4-6)Show SMILES Cc1cc(Nc2nccc(n2)C(F)(F)F)cc(c1)-c1cnc(s1)C(F)[C@H]1CCC(CC1)C(O)=O |r,wD:25.27,(3.24,-3.43,;1.75,-3.03,;.67,-4.12,;-.82,-3.72,;-1.91,-4.81,;-3.4,-4.41,;-4.49,-5.5,;-5.97,-5.1,;-6.37,-3.62,;-5.28,-2.53,;-3.8,-2.92,;-5.68,-1.04,;-4.59,.05,;-7.17,-.64,;-6.08,.45,;-1.22,-2.23,;-.13,-1.15,;1.36,-1.54,;-.53,.34,;-1.99,.82,;-1.99,2.36,;-.53,2.83,;.38,1.59,;.24,4.17,;-.31,5.39,;1.78,4.17,;2.55,2.83,;4.09,2.83,;4.86,4.17,;4.09,5.5,;2.55,5.5,;6.4,4.17,;7.17,2.83,;7.17,5.5,)| Show InChI InChI=1S/C23H22F4N4O2S/c1-12-8-15(10-16(9-12)30-22-28-7-6-18(31-22)23(25,26)27)17-11-29-20(34-17)19(24)13-2-4-14(5-3-13)21(32)33/h6-11,13-14,19H,2-5H2,1H3,(H,32,33)(H,28,30,31)/t13-,14?,19? | 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 | 2 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212239
(US9290490, 2-79)Show SMILES CC(C)c1ccnc(Nc2cc(C)cc(c2)-c2cnc(s2)C(C)(O)C2CCC(CC2)C(O)=O)n1 |(-5.07,-4.1,;-6.4,-4.87,;-7.74,-4.1,;-6.4,-6.41,;-7.74,-7.24,;-7.74,-8.78,;-6.4,-9.55,;-5.07,-8.78,;-3.74,-9.55,;-2.4,-8.78,;-1.07,-9.55,;.27,-8.78,;1.6,-9.55,;.27,-7.24,;-1.07,-6.47,;-2.4,-7.24,;-1.07,-4.93,;-2.31,-4.02,;-1.84,-2.56,;-.3,-2.56,;.18,-4.02,;.47,-1.22,;1.24,.11,;-.3,.11,;1.96,-.82,;3.05,-1.91,;4.54,-1.52,;4.99,-.01,;3.84,1.06,;2.36,.66,;6.47,.39,;6.87,1.87,;7.81,-.38,;-5.07,-7.24,)| Show InChI InChI=1S/C26H32N4O3S/c1-15(2)21-9-10-27-25(30-21)29-20-12-16(3)11-18(13-20)22-14-28-24(34-22)26(4,33)19-7-5-17(6-8-19)23(31)32/h9-15,17,19,33H,5-8H2,1-4H3,(H,31,32)(H,27,29,30) | 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 | 2 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212245
(US9290490, 3-2)Show SMILES Cc1cc(Nc2nccc(n2)C(F)(F)F)cc(c1)-c1cnc(s1)C(C)(O)C1CCC(C1)C(O)=O Show InChI InChI=1S/C23H23F3N4O3S/c1-12-7-14(10-16(8-12)29-21-27-6-5-18(30-21)23(24,25)26)17-11-28-20(34-17)22(2,33)15-4-3-13(9-15)19(31)32/h5-8,10-11,13,15,33H,3-4,9H2,1-2H3,(H,31,32)(H,27,29,30) | 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 | 2 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212228
(US9290490, 1-11)Show SMILES CC(O)(C1CC2C(C1)C2C(O)=O)c1ncc(s1)-c1cccc(Nc2nccc(n2)C(F)(F)F)c1 |(-1.54,1.44,;-.77,.11,;,1.44,;.77,.11,;1.54,-1.22,;3.08,-1.22,;3.08,1.44,;1.54,1.44,;3.85,.11,;5.39,.11,;6.16,1.44,;6.16,-1.22,;-1.54,-1.22,;-3.08,-1.22,;-3.56,-2.69,;-2.31,-3.59,;-1.06,-2.69,;-2.31,-5.13,;-.98,-5.9,;-.98,-7.44,;-2.31,-8.21,;-3.64,-7.44,;-4.98,-8.21,;-6.31,-7.44,;-7.64,-8.21,;-8.98,-7.44,;-8.98,-5.9,;-7.64,-5.13,;-6.31,-5.9,;-7.64,-3.59,;-8.98,-2.82,;-7.64,-2.05,;-6.16,-3.19,;-3.64,-5.9,)| Show InChI InChI=1S/C23H21F3N4O3S/c1-22(33,12-8-14-15(9-12)18(14)19(31)32)20-28-10-16(34-20)11-3-2-4-13(7-11)29-21-27-6-5-17(30-21)23(24,25)26/h2-7,10,12,14-15,18,33H,8-9H2,1H3,(H,31,32)(H,27,29,30) | 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 | 3 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212269
(US9290490, 2-112)Show SMILES Cc1cc(Nc2nccc(n2)C(F)(F)F)cc(c1)-c1cnc(s1)C(N)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:25.27,wD:28.34,(.78,-7.88,;-.55,-7.11,;-1.89,-7.88,;-3.22,-7.11,;-4.55,-7.88,;-5.89,-7.11,;-7.22,-7.88,;-8.55,-7.11,;-8.55,-5.57,;-7.22,-4.75,;-5.89,-5.57,;-7.22,-3.21,;-8.55,-2.44,;-7.22,-1.67,;-5.89,-2.44,;-3.22,-5.57,;-1.89,-4.8,;-.55,-5.57,;-1.89,-3.26,;-3.13,-2.36,;-2.66,-.89,;-1.12,-.89,;-.64,-2.36,;-.35,.44,;-1.12,1.77,;1.19,.44,;1.96,1.77,;3.5,1.77,;4.33,.44,;3.5,-.89,;1.96,-.89,;5.87,.44,;6.64,-.89,;6.64,1.77,)| Show InChI InChI=1S/C23H24F3N5O2S/c1-12-8-15(10-16(9-12)30-22-28-7-6-18(31-22)23(24,25)26)17-11-29-20(34-17)19(27)13-2-4-14(5-3-13)21(32)33/h6-11,13-14,19H,2-5,27H2,1H3,(H,32,33)(H,28,30,31)/t13-,14-,19? | 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 | 3 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212236
(US9290490, 2-60)Show SMILES Cc1cc(Nc2ncc(Cl)c(C)n2)cc(c1)-c1cnc(s1)C(C)(O)C1CCC(CC1)C(O)=O |(.64,-8.71,;-.69,-7.94,;-2.02,-8.71,;-3.36,-7.94,;-4.69,-8.71,;-6.03,-7.94,;-7.36,-8.71,;-8.69,-7.94,;-8.69,-6.4,;-9.78,-5.31,;-7.36,-5.57,;-7.36,-4.03,;-6.03,-6.4,;-3.36,-6.4,;-2.02,-5.63,;-.69,-6.4,;-2.02,-4.09,;-3.27,-3.18,;-2.79,-1.72,;-1.25,-1.72,;-.78,-3.18,;-.48,-.39,;.29,.95,;-1.25,.95,;1.06,-.39,;1.83,-1.72,;3.37,-1.72,;4.19,-.39,;3.37,.95,;1.83,.95,;5.73,-.39,;6.5,.95,;6.5,-1.72,)| Show InChI InChI=1S/C24H27ClN4O3S/c1-13-8-16(10-18(9-13)29-23-27-11-19(25)14(2)28-23)20-12-26-22(33-20)24(3,32)17-6-4-15(5-7-17)21(30)31/h8-12,15,17,32H,4-7H2,1-3H3,(H,30,31)(H,27,28,29) | 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 | 5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212248
(US9290490, 6-3)Show SMILES Cc1cc(Nc2nccc(n2)C(F)(F)F)cc(c1)-c1cnc(s1)[C@@](C)(O)[C@@]1(O)CC[C@@H](CC1)c1nn[nH]n1 |r,wU:26.30,23.27,wD:30.36,26.29,23.26,(2.44,3.19,;.95,3.58,;-.13,2.5,;-1.62,2.89,;-2.71,1.8,;-4.2,2.2,;-5.29,1.11,;-6.77,1.51,;-7.17,3,;-6.08,4.09,;-4.6,3.69,;-6.48,5.58,;-7.97,5.98,;-5.39,6.67,;-6.88,7.06,;-2.02,4.38,;-.93,5.47,;.56,5.07,;-1.33,6.96,;-2.79,7.43,;-2.79,8.97,;-1.33,9.45,;-.42,8.2,;-.56,10.78,;-2.1,10.78,;-1.33,12.12,;.98,10.78,;.21,12.12,;1.75,12.12,;3.29,12.12,;4.06,10.78,;3.29,9.45,;1.75,9.45,;5.6,10.78,;6.51,12.03,;7.97,11.55,;7.97,10.01,;6.51,9.54,)| | 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 | 5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212234
(US9290490, 2-53)Show SMILES Cc1cc(Nc2nccc(C)n2)cc(c1)-c1cnc(s1)C(C)(O)C1CCC(CC1)C(O)=O |(2.02,-8.6,;.68,-7.83,;-.65,-8.6,;-1.98,-7.83,;-3.32,-8.6,;-4.65,-7.83,;-5.98,-8.6,;-7.32,-7.83,;-7.32,-6.29,;-5.98,-5.46,;-5.98,-3.92,;-4.65,-6.29,;-1.98,-6.29,;-.65,-5.52,;.68,-6.29,;-.65,-3.98,;-1.9,-3.07,;-1.42,-1.61,;.12,-1.61,;.6,-3.07,;.89,-.27,;1.66,1.06,;.12,1.06,;2.43,-.27,;3.2,-1.61,;4.74,-1.61,;5.57,-.27,;4.74,1.06,;3.2,1.06,;7.11,-.27,;7.88,1.06,;7.88,-1.61,)| Show InChI InChI=1S/C24H28N4O3S/c1-14-10-17(12-19(11-14)28-23-25-9-8-15(2)27-23)20-13-26-22(32-20)24(3,31)18-6-4-16(5-7-18)21(29)30/h8-13,16,18,31H,4-7H2,1-3H3,(H,29,30)(H,25,27,28) | 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 | 13 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212241
(US9290490, 2-109)Show SMILES Cc1cc(Nc2ncc(F)c(C)n2)cc(c1)-c1cnc(s1)C(O)(CO)C1CCC(CC1)C(O)=O |(2.24,-8.27,;.9,-7.5,;-.43,-8.27,;-1.76,-7.5,;-3.1,-8.27,;-4.43,-7.5,;-5.76,-8.27,;-7.1,-7.5,;-7.1,-5.96,;-8.43,-5.19,;-5.76,-5.13,;-5.76,-3.59,;-4.43,-5.96,;-1.76,-5.96,;-.43,-5.19,;.9,-5.96,;-.43,-3.65,;-1.68,-2.74,;-1.2,-1.28,;.34,-1.28,;.82,-2.74,;1.11,.06,;.34,1.39,;1.88,1.39,;1.48,2.88,;2.65,.06,;3.42,-1.28,;4.96,-1.28,;5.79,.06,;4.96,1.39,;3.42,1.39,;7.33,.06,;8.1,1.39,;8.1,-1.28,)| Show InChI InChI=1S/C24H27FN4O4S/c1-13-7-16(9-18(8-13)29-23-27-10-19(25)14(2)28-23)20-11-26-22(34-20)24(33,12-30)17-5-3-15(4-6-17)21(31)32/h7-11,15,17,30,33H,3-6,12H2,1-2H3,(H,31,32)(H,27,28,29) | 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 | 15 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212249
(US9290490, Example 7 (trans isomer))Show SMILES Cc1cc(Nc2nccc(n2)C(F)(F)F)cc(c1)-c1cnc(s1)C(O)[C@H]1CC[C@H](CC1)C(N)=O |r,wU:25.27,28.34,(-.3,-7.56,;-1.63,-6.79,;-2.97,-7.56,;-4.3,-6.79,;-5.63,-7.56,;-6.97,-6.79,;-8.3,-7.56,;-9.64,-6.79,;-9.64,-5.25,;-8.3,-4.42,;-6.97,-5.25,;-8.3,-2.88,;-8.3,-1.34,;-6.76,-2.88,;-9.84,-2.88,;-4.3,-5.25,;-2.97,-4.48,;-1.63,-5.25,;-2.97,-2.94,;-1.72,-2.03,;-2.2,-.57,;-3.74,-.57,;-4.21,-2.03,;-4.83,.52,;-6.31,.12,;-4.43,2.01,;-5.52,3.1,;-5.12,4.58,;-3.63,4.98,;-2.54,3.89,;-2.94,2.41,;-3.23,6.47,;-1.74,6.87,;-4.32,7.56,)| Show InChI InChI=1S/C23H24F3N5O2S/c1-12-8-15(10-16(9-12)30-22-28-7-6-18(31-22)23(24,25)26)17-11-29-21(34-17)19(32)13-2-4-14(5-3-13)20(27)33/h6-11,13-14,19,32H,2-5H2,1H3,(H2,27,33)(H,28,30,31)/t13-,14+,19? | 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 | 35 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212232
(US9290490, 2-16)Show SMILES CCC(=O)O[C@@H]1CCC(C[C@H]1C)C(C)(O)c1ncc(s1)-c1cc(C)cc(Nc2nccc(C)n2)c1 |r| Show InChI InChI=1S/C27H34N4O3S/c1-6-24(32)34-22-8-7-20(13-17(22)3)27(5,33)25-29-15-23(35-25)19-11-16(2)12-21(14-19)31-26-28-10-9-18(4)30-26/h9-12,14-15,17,20,22,33H,6-8,13H2,1-5H3,(H,28,30,31)/t17-,20?,22-,27?/m1/s1 | 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 | 93 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212235
(US9290490, 2-57)Show SMILES Cc1cc(Nc2nccc(C)n2)cc(c1)-c1cnc(s1)C(C)(O)C1CCC(CC1)NOC(=O)Cc1ccccc1 |(-6.4,-8.86,;-7.74,-8.09,;-9.07,-8.86,;-10.4,-8.09,;-11.74,-8.86,;-13.07,-8.09,;-14.4,-8.86,;-15.74,-8.09,;-15.74,-6.55,;-14.4,-5.73,;-14.4,-4.19,;-13.07,-6.55,;-10.4,-6.55,;-9.07,-5.78,;-7.74,-6.55,;-9.07,-4.24,;-10.32,-3.34,;-9.84,-1.87,;-8.3,-1.87,;-7.82,-3.34,;-7.53,-.54,;-6.76,.8,;-8.3,.8,;-5.99,-.54,;-5.22,-1.87,;-3.68,-1.87,;-2.85,-.54,;-3.68,.8,;-5.22,.8,;-1.31,-.54,;-.54,.8,;1,.8,;1.77,2.13,;1.77,-.54,;3.31,-.54,;4.08,-1.87,;5.62,-1.87,;6.39,-.54,;5.62,.8,;4.08,.8,)| Show InChI InChI=1S/C31H35N5O3S/c1-20-15-23(18-26(16-20)35-30-32-14-13-21(2)34-30)27-19-33-29(40-27)31(3,38)24-9-11-25(12-10-24)36-39-28(37)17-22-7-5-4-6-8-22/h4-8,13-16,18-19,24-25,36,38H,9-12,17H2,1-3H3,(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 | 123 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212265
(US9290490, Example 22)Show SMILES Cc1cc(Nc2nccc(n2)C(F)(F)F)cc(c1)-c1cnc(s1)C(O)C1CCC2(CC1)OCCO2 Show InChI InChI=1S/C24H25F3N4O3S/c1-14-10-16(12-17(11-14)30-22-28-7-4-19(31-22)24(25,26)27)18-13-29-21(35-18)20(32)15-2-5-23(6-3-15)33-8-9-34-23/h4,7,10-13,15,20,32H,2-3,5-6,8-9H2,1H3,(H,28,30,31) | 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 | 197 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212256
(US9290490, Example 13, step 2)Show SMILES Cc1cc(Nc2nccc(C)n2)cc(c1)-c1cnc(CC2CC[C@@H](CC2)C(O)=O)s1 |r,wD:23.28,(1.55,.63,;.22,1.4,;-1.11,.63,;-2.45,1.4,;-3.78,.63,;-5.12,1.4,;-6.45,.63,;-7.78,1.4,;-7.78,2.94,;-6.45,3.71,;-6.45,5.25,;-5.12,2.94,;-2.45,2.94,;-1.11,3.71,;.22,2.94,;-1.11,5.25,;-2.36,6.16,;-1.88,7.62,;-.34,7.62,;.74,8.71,;2.23,8.31,;3.32,9.4,;4.81,9,;5.21,7.52,;4.12,6.43,;2.63,6.83,;6.69,7.12,;7.78,8.21,;7.09,5.63,;.13,6.16,)| Show InChI InChI=1S/C23H26N4O2S/c1-14-9-18(12-19(10-14)27-23-24-8-7-15(2)26-23)20-13-25-21(30-20)11-16-3-5-17(6-4-16)22(28)29/h7-10,12-13,16-17H,3-6,11H2,1-2H3,(H,28,29)(H,24,26,27)/t16?,17- | 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 | 301 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212247
(US9290490, Example 5, Step 3 (trans isomer))Show SMILES Cc1cc(Nc2nccc(C)n2)cc(c1)-c1cnc(C[C@]2(O)CC[C@@H](CC2)C(O)=O)s1 |r,wU:20.22,wD:20.21,24.29,(2.84,3.32,;1.36,3.72,;.27,2.63,;-1.22,3.03,;-2.31,1.94,;-3.8,2.34,;-4.89,1.25,;-6.37,1.65,;-6.77,3.13,;-5.68,4.22,;-6.08,5.71,;-4.2,3.82,;-1.62,4.52,;-.53,5.6,;.96,5.21,;-.93,7.09,;-2.39,7.57,;-2.39,9.11,;-.93,9.58,;-.16,10.92,;1.38,10.92,;.61,12.25,;2.15,12.25,;3.69,12.25,;4.46,10.92,;3.69,9.58,;2.15,9.58,;6,10.92,;6.77,9.58,;6.77,12.25,;-.02,8.34,)| Show InChI InChI=1S/C23H26N4O3S/c1-14-9-17(11-18(10-14)27-22-24-8-5-15(2)26-22)19-13-25-20(31-19)12-23(30)6-3-16(4-7-23)21(28)29/h5,8-11,13,16,30H,3-4,6-7,12H2,1-2H3,(H,28,29)(H,24,26,27)/t16-,23- | 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 | 318 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212257
(US9290490, Example 14)Show SMILES COC(=O)[C@@H]1CC([C@H](O)C1(C)C)C(=O)c1ncc(s1)-c1cc(C)cc(Nc2nccc(n2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C25H25F3N4O4S/c1-12-7-13(9-14(8-12)31-23-29-6-5-18(32-23)25(26,27)28)17-11-30-21(37-17)19(33)15-10-16(22(35)36-4)24(2,3)20(15)34/h5-9,11,15-16,20,34H,10H2,1-4H3,(H,29,31,32)/t15?,16-,20-/m0/s1 | 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 | 850 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212231
(US9290490, 2-3)Show SMILES CCCCC(=O)OC1CCC(CC1)C(C)(O)c1ncc(s1)-c1cc(C)cc(Nc2nccc(n2)C(F)(F)F)c1 |(11.09,-.65,;10,.44,;8.52,.04,;7.43,1.13,;5.94,.73,;5.54,-.76,;4.85,1.82,;3.36,1.42,;2.91,-.08,;1.42,-.48,;.34,.61,;.73,2.1,;2.22,2.49,;-1.15,.21,;-.66,1.76,;-1.92,1.54,;-1.92,-1.12,;-3.46,-1.12,;-3.94,-2.59,;-2.69,-3.49,;-1.45,-2.59,;-2.69,-5.03,;-1.36,-5.8,;-1.36,-7.34,;-.02,-8.11,;-2.69,-8.11,;-4.03,-7.34,;-5.36,-8.11,;-6.69,-7.34,;-8.03,-8.11,;-9.36,-7.34,;-9.36,-5.8,;-8.03,-4.98,;-6.69,-5.8,;-8.03,-3.44,;-8.03,-1.9,;-6.49,-3.44,;-9.57,-3.44,;-4.03,-5.8,)| Show InChI InChI=1S/C28H33F3N4O3S/c1-4-5-6-24(36)38-21-9-7-19(8-10-21)27(3,37)25-33-16-22(39-25)18-13-17(2)14-20(15-18)34-26-32-12-11-23(35-26)28(29,30)31/h11-16,19,21,37H,4-10H2,1-3H3,(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 | 1.26E+3 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212243
(US9290490, 2-74)Show SMILES CCCCC(=O)OC1CCC(CC1)C(C)(O)c1ncc(s1)-c1cc(C)cc(Nc2nccc(C)n2)c1 |(6.43,2.29,;5.66,.96,;4.12,.96,;3.35,-.38,;1.81,-.38,;1.04,.96,;1.04,-1.71,;-.5,-1.71,;-1.33,-3.04,;-2.87,-3.04,;-3.64,-1.71,;-2.87,-.38,;-1.33,-.38,;-5.18,-1.71,;-4.41,-.38,;-5.95,-.38,;-5.95,-3.04,;-7.49,-3.04,;-7.96,-4.51,;-6.72,-5.41,;-5.47,-4.51,;-6.72,-6.95,;-5.38,-7.72,;-5.38,-9.26,;-4.05,-10.03,;-6.72,-10.03,;-8.05,-9.26,;-9.39,-10.03,;-10.72,-9.26,;-12.05,-10.03,;-13.39,-9.26,;-13.39,-7.72,;-12.05,-6.9,;-12.05,-5.36,;-10.72,-7.72,;-8.05,-7.72,)| Show InChI InChI=1S/C28H36N4O3S/c1-5-6-7-25(33)35-23-10-8-21(9-11-23)28(4,34)26-30-17-24(36-26)20-14-18(2)15-22(16-20)32-27-29-13-12-19(3)31-27/h12-17,21,23,34H,5-11H2,1-4H3,(H,29,31,32) | 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 | 1.43E+3 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM212237
(US9290490, 2-73)Show SMILES CCCCC(=O)OC1CCC(CC1)C(C)(O)c1ncc(s1)-c1cc(C)cc(Nc2ncc(F)c(OC)n2)c1 |(10.87,-.71,;9.78,.38,;8.3,-.02,;7.21,1.07,;5.72,.67,;5.32,-.81,;4.63,1.76,;3.14,1.36,;2.69,-.14,;1.2,-.54,;.12,.55,;.51,2.04,;2,2.44,;-1.37,.15,;-.6,1.49,;-2.14,1.49,;-2.14,-1.18,;-3.68,-1.18,;-4.16,-2.64,;-2.91,-3.55,;-1.67,-2.64,;-2.91,-5.09,;-1.58,-5.86,;-1.58,-7.4,;-.24,-8.17,;-2.91,-8.17,;-4.25,-7.4,;-5.58,-8.17,;-6.91,-7.4,;-8.25,-8.17,;-9.58,-7.4,;-9.58,-5.86,;-10.91,-5.09,;-8.25,-5.03,;-8.25,-3.49,;-6.91,-2.72,;-6.91,-5.86,;-4.25,-5.86,)| Show InChI InChI=1S/C28H35FN4O4S/c1-5-6-7-24(34)37-21-10-8-19(9-11-21)28(3,35)26-30-16-23(38-26)18-12-17(2)13-20(14-18)32-27-31-15-22(29)25(33-27)36-4/h12-16,19,21,35H,5-11H2,1-4H3,(H,31,32,33) | PDB
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NCI pathway
Reactome pathway
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.46E+3 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Merck Sharp & Dohme Corp.
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 US9290490 (2016)
BindingDB Entry DOI: 10.7270/Q2Z0370B |
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Ligand-Target Pair | |
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