Found 262 hits Enz. Inhib. hit(s) with all data for entry = 11202 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 BTK
(Homo sapiens (Human)) | BDBM165511
(US10604504, Example 168 | US11623921, Example 168 ...)Show SMILES Cc1[nH]c2c(cc(F)c(N3CC4CCN(C4C3)C(=O)C=C)c2c1C)C(N)=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM165960
(US10604504, Example 206 | US11623921, Example 206 ...)Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.15,;-5.08,1.15,;-4.18,2.4,;-2.71,1.93,;-1.38,2.69,;-.05,1.93,;-.05,.38,;1.29,-.38,;-1.38,-.38,;-1.38,-1.93,;-2.71,-2.69,;-2.71,-4.23,;-1.38,-5,;-.05,-4.23,;1.29,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-1.93,;-.05,-2.69,;3.96,-1.93,;3.96,-.38,;5.29,-2.69,;6.62,-1.93,;-2.71,.38,;-4.18,-.09,;-4.63,-1.42,;-1.38,4.23,;-.05,5,;-2.71,5,)| Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-14-6-5-7-15(17(14)11-27)21-18(24)10-16(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM165458
(US10604504, Example 136 | US11623921, Example 136 ...)Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#CC3CC3)c2c1C)C(N)=O |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM166569
(US10604504, Example 219 | US11623921, Example 219 ...)Show SMILES Cc1[nH]c2c(cc(F)c(C3CCCN(C3)C(=O)C=C)c2c1C)C(N)=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.0520 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM165330
(US10604504, Example 126 | US11623921, Example 126 ...)Show SMILES CCC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM165334
(US10604504, Example 128 | US11623921, Example 128 ...)Show SMILES CCCC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM164877
(US10604504, Example 25 | US11623921, Example 25 | ...)Show SMILES CN(c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c(C)c(C)c12)S(=O)(=O)C=C Show InChI InChI=1S/C20H21N3O3S/c1-5-27(25,26)23(4)15-8-6-7-14(11-15)16-9-10-17(20(21)24)19-18(16)12(2)13(3)22-19/h5-11,22H,1H2,2-4H3,(H2,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM165523
(US10604504, Example 172 | US11623921, Example 172 ...)Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CC(F)c34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;2.06,.18,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.63,-.65,;-1.38,5,;-.05,5.78,;-2.71,5.78,)| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM164805
(US10604504, Example 4 | US11623921, Example 4 | US...)Show SMILES Cc1[nH]c2c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c2c1C)C(N)=O Show InChI InChI=1S/C19H19N3O3S/c1-4-26(24,25)22-14-7-5-6-13(10-14)15-8-9-16(19(20)23)18-17(15)11(2)12(3)21-18/h4-10,21-22H,1H2,2-3H3,(H2,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM164638
(BDBM166759 | US10604504, Example 223 | US11623921,...)Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| | n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM164717
(US10604504, Example 160 | US11623921, Example 160 ...)Show SMILES Cc1[nH]c2c(cc(F)c(N3CC4CCCN(C4C3)C(=O)C=C)c2c1C)C(N)=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM164773
(US10604504, Example 174 | US11623921, Example 174 ...)Show SMILES CC#CC(=O)N1CCCC2CN(CC12)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM165995
(US10604504, Example 207 | US11623921, Example 207 ...)Show SMILES Cc1[nH]c2c(cc(F)c(-c3ccc4CCN(C(=O)C=C)c4c3)c2c1C)C(N)=O Show InChI InChI=1S/C22H20FN3O2/c1-4-18(27)26-8-7-13-5-6-14(9-17(13)26)20-16(23)10-15(22(24)28)21-19(20)11(2)12(3)25-21/h4-6,9-10,25H,1,7-8H2,2-3H3,(H2,24,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.0940 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM164713
(US10604504, Example 95 | US11623921, Example 95 | ...)Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.39,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.95,-.65,;-1.38,5,;-.05,5.78,;-2.71,5.78,)| Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-15-14(11-27)6-5-7-16(15)21-18(24)10-17(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM164717
(US10604504, Example 160 | US11623921, Example 160 ...)Show SMILES Cc1[nH]c2c(cc(F)c(N3CC4CCCN(C4C3)C(=O)C=C)c2c1C)C(N)=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM164793
(US10604504, Example 232 | US11623921, Example 232 ...)Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CC(F)(F)c34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.92,;-5.08,1.92,;-4.18,3.17,;-2.71,2.69,;-1.38,3.46,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.16,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.24,;-.05,-3.47,;1.29,-4.24,;2.62,-3.47,;2.62,-1.93,;1.29,-1.16,;.52,.18,;2.06,.18,;-.05,-1.93,;3.96,-4.24,;3.96,-5.77,;5.29,-3.47,;6.62,-4.24,;-2.71,1.15,;-4.18,.68,;-4.95,-.65,;-1.38,5,;-.05,5.77,;-2.71,5.77,)| Show InChI InChI=1S/C23H20F3N3O2/c1-4-17(30)29-9-13-6-5-7-14(20(13)23(25,26)10-29)19-16(24)8-15(22(27)31)21-18(19)11(2)12(3)28-21/h4-8,28H,1,9-10H2,2-3H3,(H2,27,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM166785
(US10604504, Example 233 | US11623921, Example 233 ...)Show SMILES Cc1[nH]c2c(cc(F)c(C3=CN(CCC3)C(=O)C=C)c2c1C)C(N)=O |t:9| Show InChI InChI=1S/C19H20FN3O2/c1-4-15(24)23-7-5-6-12(9-23)17-14(20)8-13(19(21)25)18-16(17)10(2)11(3)22-18/h4,8-9,22H,1,5-7H2,2-3H3,(H2,21,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM166831
(US10604504, Example 242 | US11623921, Example 242 ...)Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#C)c2c1C)C(N)=O |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM164638
(BDBM166759 | US10604504, Example 223 | US11623921,...)Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| | n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM164875
(US10604504, Example 23 | US11623921, Example 23 | ...)Show SMILES CN(c1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c(C)c(C)c12)S(=O)(=O)C=C Show InChI InChI=1S/C21H23N3O3S/c1-6-28(26,27)24(5)18-9-7-8-15(13(18)3)16-10-11-17(21(22)25)20-19(16)12(2)14(4)23-20/h6-11,23H,1H2,2-5H3,(H2,22,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM165583
(US10604504, Example 196 | US11623921, Example 196 ...)Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCSc34)C(=O)C=C)c2c1C)C(N)=O |(-5.29,2.31,;-3.75,2.31,;-2.84,3.56,;-1.38,3.08,;-.05,3.85,;1.29,3.08,;1.29,1.54,;2.62,.77,;-.05,.77,;-.05,-.77,;-1.38,-1.54,;-1.38,-3.08,;-.05,-3.85,;1.29,-3.08,;2.62,-3.85,;3.96,-3.08,;3.96,-1.54,;2.62,-.77,;1.29,-1.54,;2.62,-5.39,;1.29,-6.16,;3.96,-6.16,;5.29,-5.39,;-1.38,1.54,;-2.84,1.06,;-3.3,-.27,;-.05,5.39,;1.29,6.16,;-1.38,6.16,)| Show InChI InChI=1S/C22H20FN3O2S/c1-4-17(27)26-8-9-29-21-13(6-5-7-16(21)26)19-15(23)10-14(22(24)28)20-18(19)11(2)12(3)25-20/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM165208
(US10604504, Example 33 | US11623921, Example 33 | ...)Show SMILES Cc1c[nH]c2c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c12)C(N)=O Show InChI InChI=1S/C18H17N3O3S/c1-3-25(23,24)21-13-6-4-5-12(9-13)14-7-8-15(18(19)22)17-16(14)11(2)10-20-17/h3-10,20-21H,1H2,2H3,(H2,19,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM165301
(US10604504, Example 97 | US11623921, Example 97 | ...)Show SMILES Cc1[nH]c2c(cc(F)c(-c3ccc4N(CCCc4c3)C(=O)C=C)c2c1C)C(N)=O Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-5-6-14-10-15(7-8-18(14)27)21-17(24)11-16(23(25)29)22-20(21)12(2)13(3)26-22/h4,7-8,10-11,26H,1,5-6,9H2,2-3H3,(H2,25,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM165563
(US10604504, Example 185 | US11623921, Example 185 ...)Show SMILES Cc1[nH]c2c(cc(F)c(Cc3ccnc(C=C)c3)c2c1C)C(N)=O Show InChI InChI=1S/C19H18FN3O/c1-4-13-7-12(5-6-22-13)8-14-16(20)9-15(19(21)24)18-17(14)10(2)11(3)23-18/h4-7,9,23H,1,8H2,2-3H3,(H2,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM165577
(US10604504, Example 191 | US11623921, Example 191 ...)Show SMILES Cc1[nH]c2c(cc(F)c(-c3cc(F)cc4CN(CCc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-4.05,-4.23,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.63,-.65,;-1.38,5,;-.05,5.78,;-2.71,5.78,)| Show InChI InChI=1S/C23H21F2N3O2/c1-4-19(29)28-6-5-15-13(10-28)7-14(24)8-16(15)21-18(25)9-17(23(26)30)22-20(21)11(2)12(3)27-22/h4,7-9,27H,1,5-6,10H2,2-3H3,(H2,26,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM164713
(US10604504, Example 95 | US11623921, Example 95 | ...)Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.39,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.95,-.65,;-1.38,5,;-.05,5.78,;-2.71,5.78,)| Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-15-14(11-27)6-5-7-16(15)21-18(24)10-17(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM165319
(US10604504, Example 115 | US11623921, Example 115 ...)Show SMILES Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NC(=O)C#C)c2c1C)C(N)=O |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM165328
(US10604504, Example 125 | US11623921, Example 125 ...)Show SMILES CC#CC(=O)N(C)[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM165582
(US10604504, Example 193 | US11623921, Example 193 ...)Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCc34)C(=O)C=C)c2c1C)C(N)=O |(-5.51,2.3,;-3.97,2.3,;-3.06,3.54,;-1.6,3.07,;-.26,3.84,;1.07,3.07,;1.07,1.53,;2.4,.76,;-.26,.76,;-.26,-.78,;-1.6,-1.55,;-1.6,-3.09,;-.26,-3.86,;1.07,-3.09,;2.53,-3.57,;3.44,-2.32,;2.53,-1.08,;1.07,-1.55,;2.93,-5.06,;1.84,-6.15,;4.42,-5.46,;5.51,-4.37,;-1.6,1.53,;-3.06,1.05,;-3.52,-.28,;-.26,5.38,;1.07,6.15,;-1.6,6.15,)| Show InChI InChI=1S/C22H20FN3O2/c1-4-18(27)26-9-8-13-14(6-5-7-17(13)26)20-16(23)10-15(22(24)28)21-19(20)11(2)12(3)25-21/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM164876
(US10604504, Example 24 | US11623921, Example 24 | ...)Show SMILES CN(c1cccc(c1C)-c1ccc(C(N)=O)c2[nH]cc(C)c12)S(=O)(=O)C=C Show InChI InChI=1S/C20H21N3O3S/c1-5-27(25,26)23(4)17-8-6-7-14(13(17)3)15-9-10-16(20(21)24)19-18(15)12(2)11-22-19/h5-11,22H,1H2,2-4H3,(H2,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM165209
(US10604504, Example 34 | US11623921, Example 34 | ...)Show SMILES Cc1[nH]c2c(ccc(-c3cccc(NS(=O)(=O)C=C)c3C)c2c1C)C(N)=O Show InChI InChI=1S/C20H21N3O3S/c1-5-27(25,26)23-17-8-6-7-14(12(17)3)15-9-10-16(20(21)24)19-18(15)11(2)13(4)22-19/h5-10,22-23H,1H2,2-4H3,(H2,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM165348
(US10604504, Example 132 | US11623921, Example 132 ...)Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.4,1.15,;-4.86,1.15,;-3.95,2.4,;-2.49,1.93,;-1.15,2.69,;.18,1.93,;.18,.38,;1.51,-.38,;-1.15,-.38,;-1.15,-1.93,;-2.49,-2.69,;-2.49,-4.23,;-1.15,-5,;.18,-4.23,;1.64,-4.71,;2.55,-3.47,;1.64,-2.22,;.18,-2.69,;4.09,-3.47,;4.86,-2.13,;4.86,-4.8,;6.4,-4.8,;-2.49,.38,;-3.95,-.09,;-4.41,-1.42,;-1.15,4.23,;.18,5,;-2.49,5,)| Show InChI InChI=1S/C22H20FN3O2/c1-4-18(27)26-9-13-6-5-7-14(16(13)10-26)20-17(23)8-15(22(24)28)21-19(20)11(2)12(3)25-21/h4-8,25H,1,9-10H2,2-3H3,(H2,24,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM164714
(US10604504, Example 102 | US11623921, Example 102 ...)Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCOc34)C(=O)C=C)c2c1C)C(N)=O |(-4.62,3.08,;-3.08,3.08,;-2.18,4.33,;-.71,3.85,;.62,4.62,;1.95,3.85,;1.95,2.31,;3.29,1.54,;.62,1.54,;.62,,;-.71,-.77,;-.71,-2.31,;.62,-3.08,;1.95,-2.31,;3.29,-3.08,;4.62,-2.31,;4.62,-.77,;3.29,,;1.95,-.77,;3.29,-4.62,;1.95,-5.39,;4.62,-5.39,;4.62,-6.93,;-.71,2.31,;-2.18,1.83,;-2.95,.5,;.62,6.16,;1.95,6.93,;-.71,6.93,)| Show InChI InChI=1S/C22H20FN3O3/c1-4-17(27)26-8-9-29-21-13(6-5-7-16(21)26)19-15(23)10-14(22(24)28)20-18(19)11(2)12(3)25-20/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM165577
(US10604504, Example 191 | US11623921, Example 191 ...)Show SMILES Cc1[nH]c2c(cc(F)c(-c3cc(F)cc4CN(CCc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-4.05,-4.23,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.63,-.65,;-1.38,5,;-.05,5.78,;-2.71,5.78,)| Show InChI InChI=1S/C23H21F2N3O2/c1-4-19(29)28-6-5-15-13(10-28)7-14(24)8-16(15)21-18(25)9-17(23(26)30)22-20(21)11(2)12(3)27-22/h4,7-9,27H,1,5-6,10H2,2-3H3,(H2,26,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM165333
(US10604504, Example 127 | US11623921, Example 127 ...)Show SMILES CCC#CC(=O)N(C)[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM165509
(US10604504, Example 166 | US11623921, Example 166 ...)Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC4CN(CC34)C(=O)C=C)c2c1C)C(N)=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM164714
(US10604504, Example 102 | US11623921, Example 102 ...)Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCOc34)C(=O)C=C)c2c1C)C(N)=O |(-4.62,3.08,;-3.08,3.08,;-2.18,4.33,;-.71,3.85,;.62,4.62,;1.95,3.85,;1.95,2.31,;3.29,1.54,;.62,1.54,;.62,,;-.71,-.77,;-.71,-2.31,;.62,-3.08,;1.95,-2.31,;3.29,-3.08,;4.62,-2.31,;4.62,-.77,;3.29,,;1.95,-.77,;3.29,-4.62,;1.95,-5.39,;4.62,-5.39,;4.62,-6.93,;-.71,2.31,;-2.18,1.83,;-2.95,.5,;.62,6.16,;1.95,6.93,;-.71,6.93,)| Show InChI InChI=1S/C22H20FN3O3/c1-4-17(27)26-8-9-29-21-13(6-5-7-16(21)26)19-15(23)10-14(22(24)28)20-18(19)11(2)12(3)25-20/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM166569
(US10604504, Example 219 | US11623921, Example 219 ...)Show SMILES Cc1[nH]c2c(cc(F)c(C3CCCN(C3)C(=O)C=C)c2c1C)C(N)=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM165303
(US10604504, Example 99 | US11623921, Example 99 | ...)Show SMILES Cc1[nH]c2c(cc(F)c(-c3ccc4CCCN(C(=O)C=C)c4c3)c2c1C)C(N)=O Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-5-6-14-7-8-15(10-18(14)27)21-17(24)11-16(23(25)29)22-20(21)12(2)13(3)26-22/h4,7-8,10-11,26H,1,5-6,9H2,2-3H3,(H2,25,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM165481
(US10604504, Example 145 | US11623921, Example 146 ...)Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM166011
(US10604504, Example 211 | US11623921, Example 211 ...)Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C1CC1)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.58,-.81,;-5.67,-1.9,;-4.18,-2.3,;-1.38,5,;-.05,5.78,;-2.71,5.78,)| Show InChI InChI=1S/C25H24FN3O2/c1-3-20(30)29-10-9-16-15(12-29)5-4-6-17(16)22-19(26)11-18(25(27)31)24-23(22)21(13(2)28-24)14-7-8-14/h3-6,11,14,28H,1,7-10,12H2,2H3,(H2,27,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM166565
(US10604504, Example 216 | US11623921, Example 216 ...)Show SMILES Cc1[nH]c2c(cc(F)c(C3=CCCN(C3)C(=O)C=C)c2c1C)C(N)=O |t:9| Show InChI InChI=1S/C19H20FN3O2/c1-4-15(24)23-7-5-6-12(9-23)17-14(20)8-13(19(21)25)18-16(17)10(2)11(3)22-18/h4,6,8,22H,1,5,7,9H2,2-3H3,(H2,21,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM166761
(US10604504, Example 224 | US11623921, Example 224 ...)Show SMILES Cc1[nH]c2c(cc(I)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.95,-.65,;-1.38,5,;-.05,5.78,;-2.71,5.78,)| Show InChI InChI=1S/C23H22IN3O2/c1-4-19(28)27-9-8-15-14(11-27)6-5-7-16(15)21-18(24)10-17(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM166787
(US10604504, Example 234 | US11623921, Example 234 ...)Show SMILES Cc1[nH]c2c(cc(F)c(C3=CCN(C3)C(=O)C=C)c2c1C)C(N)=O |t:9| Show InChI InChI=1S/C18H18FN3O2/c1-4-14(23)22-6-5-11(8-22)16-13(19)7-12(18(20)24)17-15(16)9(2)10(3)21-17/h4-5,7,21H,1,6,8H2,2-3H3,(H2,20,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM166824
(US10604504, Example 264 | US11623921, Example 264 ...)Show SMILES Cc1[nH]c2c(cc(Cl)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.63,-.65,;-1.38,5,;-.05,5.78,;-2.71,5.78,)| Show InChI InChI=1S/C23H22ClN3O2/c1-4-19(28)27-9-8-15-14(11-27)6-5-7-16(15)21-18(24)10-17(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM166857
(US10604504, Example 243 | US11623921, Example 243 ...)Show SMILES CC#CC(=O)N[C@@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM165343
(US10604504, Example 130 | US11623921, Example 130 ...)Show SMILES CCN([C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12)C(=O)C#CC |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM164874
(US10604504, Example 22 | US11623921, Example 22 | ...)Show SMILES Cc1[nH]c2c(ccc(-c3cccc(NC(=O)C=C)c3)c2c1C)C(N)=O Show InChI InChI=1S/C20H19N3O2/c1-4-17(24)23-14-7-5-6-13(10-14)15-8-9-16(20(21)25)19-18(15)11(2)12(3)22-19/h4-10,22H,1H2,2-3H3,(H2,21,25)(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM165583
(US10604504, Example 196 | US11623921, Example 196 ...)Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCSc34)C(=O)C=C)c2c1C)C(N)=O |(-5.29,2.31,;-3.75,2.31,;-2.84,3.56,;-1.38,3.08,;-.05,3.85,;1.29,3.08,;1.29,1.54,;2.62,.77,;-.05,.77,;-.05,-.77,;-1.38,-1.54,;-1.38,-3.08,;-.05,-3.85,;1.29,-3.08,;2.62,-3.85,;3.96,-3.08,;3.96,-1.54,;2.62,-.77,;1.29,-1.54,;2.62,-5.39,;1.29,-6.16,;3.96,-6.16,;5.29,-5.39,;-1.38,1.54,;-2.84,1.06,;-3.3,-.27,;-.05,5.39,;1.29,6.16,;-1.38,6.16,)| Show InChI InChI=1S/C22H20FN3O2S/c1-4-17(27)26-8-9-29-21-13(6-5-7-16(21)26)19-15(23)10-14(22(24)28)20-18(19)11(2)12(3)25-20/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM164959
(US10604504, Example 29 | US11623921, Example 29 | ...)Show SMILES CN(C(=O)C=C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c(C)c(C)c12 Show InChI InChI=1S/C21H21N3O2/c1-5-18(25)24(4)15-8-6-7-14(11-15)16-9-10-17(21(22)26)20-19(16)12(2)13(3)23-20/h5-11,23H,1H2,2-4H3,(H2,22,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2X06C0T |
More data for this Ligand-Target Pair | |