Found 429 hits with Last Name = 'surti' and Initial = 'n' 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)) | 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
| Article PubMed
| n/a | n/a | 0.0680 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ... |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
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
| Article PubMed
| n/a | n/a | 0.0770 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ... |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM377345
(US10266491, Example 13 | US10676434, Example 13 | ...)Show SMILES Cc1c(NS(=O)(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.0790 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ... |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
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
| Article PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ... |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
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
| Article PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ... |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM377369
(US10266491, Example 37 | US11053197, Example 37)Show SMILES CN(C(=O)C=C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O Show InChI InChI=1S/C26H25N3O3/c1-5-22(30)29(4)17-8-6-7-15(13-17)18-11-12-20(25(27)31)24-23(18)19-10-9-16(26(2,3)32)14-21(19)28-24/h5-14,28,32H,1H2,2-4H3,(H2,27,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ... |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM377333
((RS)-5-(3-Acrylamidophenyl)-2-(2-hydroxypropan-2-y...)Show SMILES CC(C)(O)C1CCc2c(C1)[nH]c1c(ccc(-c3cccc(NC(=O)C=C)c3)c21)C(N)=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ... |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM377358
(US10266491, Example 26 | US10676434, Example 26 | ...)Show SMILES CN(c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O)S(=O)(=O)C=C | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ... |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM377342
(US10266491, Example 10 | US10676434, Example 10 | ...)Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ... |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
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
| Article PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ... |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
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
| Article PubMed
| n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ... |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM377367
(US10266491, Example 35 | US10676434, Example 35 | ...)Show SMILES CN(C(=O)C=C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ... |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM164813
(US10604504, Example 7 | US11623921, Example 7 | US...)Show SMILES Cc1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C Show InChI InChI=1S/C20H19N3O2/c1-4-18(24)23-17-7-5-6-13(12(17)3)14-8-9-15(20(21)25)19-16(14)10-11(2)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
| Article PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ... |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM164808
(US10604504, Example 5 | US11623921, Example 5 | US...)Show SMILES Cc1[nH]c2c(ccc(-c3cccc(NC(=O)C=C)c3C)c2c1C)C(N)=O Show InChI InChI=1S/C21H21N3O2/c1-5-18(25)24-17-8-6-7-14(12(17)3)15-9-10-16(21(22)26)20-19(15)11(2)13(4)23-20/h5-10,23H,1H2,2-4H3,(H2,22,26)(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ... |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM377336
(4-(3-Acrylamido-2-methylphenyl)-7-(2-hydroxypropan...)Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O Show InChI InChI=1S/C26H25N3O3/c1-5-22(30)28-20-8-6-7-16(14(20)2)17-11-12-19(25(27)31)24-23(17)18-10-9-15(26(3,4)32)13-21(18)29-24/h5-13,29,32H,1H2,2-4H3,(H2,27,31)(H,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ... |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM164867
(US10604504, Example 20 | US11623921, Example 20 | ...)Show SMILES CN(C(=O)C=C)c1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c(C)c(C)c12 Show InChI InChI=1S/C22H23N3O2/c1-6-19(26)25(5)18-9-7-8-15(13(18)3)16-10-11-17(22(23)27)21-20(16)12(2)14(4)24-21/h6-11,24H,1H2,2-5H3,(H2,23,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ... |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50573689
(CHEMBL4857123)Show SMILES CC(C)C[C@H](N)COc1cc2n(C)c(=O)c3c(C)nccc3c2cc1C#N |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01966 BindingDB Entry DOI: 10.7270/Q29P35QX |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50573689
(CHEMBL4857123)Show SMILES CC(C)C[C@H](N)COc1cc2n(C)c(=O)c3c(C)nccc3c2cc1C#N |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of AAK1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00472 BindingDB Entry DOI: 10.7270/Q2WQ07KF |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50463561
(CHEMBL4238297)Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O Show InChI InChI=1S/C29H36N4O3/c1-17-19(8-6-9-23(17)31-25(34)10-7-15-33(4)5)20-13-14-22(28(30)35)27-26(20)21-12-11-18(29(2,3)36)16-24(21)32-27/h6-10,13-14,18,32,36H,11-12,15-16H2,1-5H3,(H2,30,35)(H,31,34)/b10-7+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.820 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ... |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Tec
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of TEC (unknown origin) |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM165235
(US10604504, Example 45 | US11623921, Example 45 | ...)Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]ccc12 Show InChI InChI=1S/C19H17N3O2/c1-3-17(23)22-16-6-4-5-12(11(16)2)13-7-8-15(19(20)24)18-14(13)9-10-21-18/h3-10,21H,1H2,2H3,(H2,20,24)(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ... |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM377351
(US10266491, Example 19 | US10676434, Example 19 | ...)Show SMILES CN(C(=O)C=C)c1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ... |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM164794
(US10604504, Example 1 | US11623921, Example 1 | US...)Show SMILES Cc1c[nH]c2c(ccc(-c3cccc(NC(=O)C=C)c3C)c12)C(N)=O Show InChI InChI=1S/C20H19N3O2/c1-4-17(24)23-16-7-5-6-13(12(16)3)14-8-9-15(20(21)25)19-18(14)11(2)10-22-19/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
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ... |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM377396
(US10266491, Example 64 | US10676434, Example 64 | ...)Show SMILES C\C=C\C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O Show InChI InChI=1S/C27H27N3O3/c1-5-7-23(31)29-21-9-6-8-17(15(21)2)18-12-13-20(26(28)32)25-24(18)19-11-10-16(27(3,4)33)14-22(19)30-25/h5-14,30,33H,1-4H3,(H2,28,32)(H,29,31)/b7-5+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ... |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM130257
(US8815840, 17)Show SMILES CN1CCN(CC1)C(=O)c1ccc2[nH]c3c(cc(cc3c2c1)-c1ccc(Cl)cc1)C(N)=O Show InChI InChI=1S/C25H23ClN4O2/c1-29-8-10-30(11-9-29)25(32)16-4-7-22-19(12-16)20-13-17(15-2-5-18(26)6-3-15)14-21(24(27)31)23(20)28-22/h2-7,12-14,28H,8-11H2,1H3,(H2,27,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 25: 4265-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM130256
(US8815840, 15)Show SMILES NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)N1CCOCC1)-c1cccc(Cl)c1 Show InChI InChI=1S/C24H20ClN3O3/c25-17-3-1-2-14(10-17)16-12-19-18-11-15(24(30)28-6-8-31-9-7-28)4-5-21(18)27-22(19)20(13-16)23(26)29/h1-5,10-13,27H,6-9H2,(H2,26,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 25: 4265-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50123559
(CHEMBL3622196)Show SMILES COc1ccc(cc1)-c1cc(C(N)=O)c2[nH]c3ccc(cc3c2c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C25H23N3O4/c1-31-18-5-2-15(3-6-18)17-13-20-19-12-16(25(30)28-8-10-32-11-9-28)4-7-22(19)27-23(20)21(14-17)24(26)29/h2-7,12-14,27H,8-11H2,1H3,(H2,26,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 25: 4265-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase TXK
(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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of TXK (unknown origin) |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Tec
(Homo sapiens (Human)) | BDBM377342
(US10266491, Example 10 | US10676434, Example 10 | ...)Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of TEC (unknown origin) |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50463565
(CHEMBL4251151)Show SMILES CC(C)=CC(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(80.87,-12.15,;79.54,-11.38,;79.54,-9.84,;78.21,-12.14,;76.88,-11.36,;76.87,-9.82,;75.55,-12.14,;74.22,-11.37,;72.88,-12.14,;71.54,-11.37,;71.55,-9.83,;72.87,-9.06,;74.21,-9.82,;75.54,-9.05,;72.87,-7.52,;74.2,-6.75,;74.2,-5.21,;72.86,-4.44,;72.85,-2.9,;74.18,-2.12,;71.51,-2.14,;71.52,-5.23,;70.06,-4.77,;69.18,-6.01,;67.66,-6.18,;67.05,-7.58,;67.96,-8.81,;69.47,-8.64,;70.08,-7.25,;71.53,-6.76,;65.52,-7.74,;64.18,-6.97,;65.52,-6.2,;64.9,-9.16,)| Show InChI InChI=1S/C28H29N3O3/c1-15(2)13-24(32)30-22-8-6-7-18(16(22)3)19-11-12-21(27(29)33)26-25(19)20-10-9-17(28(4,5)34)14-23(20)31-26/h6-14,31,34H,1-5H3,(H2,29,33)(H,30,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ... |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50094659
(CHEMBL3589164)Show SMILES NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)N1CCOCC1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H19N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-4,7H2,1-2H3,(H2,15,16,17)/t10-,11?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 25: 4265-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50194715
(CHEMBL3918580)Show SMILES Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(O)=N)c2[nH]c3cc(ccc3c12)C(C)(C)O Show InChI InChI=1S/C31H26N4O3/c1-17-19(8-6-10-26(17)35-16-33-24-9-5-4-7-22(24)30(35)37)20-13-14-23(29(32)36)28-27(20)21-12-11-18(31(2,3)38)15-25(21)34-28/h4-16,34,38H,1-3H3,(H2,32,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ... |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50123560
(CHEMBL3622197)Show SMILES NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)N1CCOCC1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H20ClN3O3/c25-17-4-1-14(2-5-17)16-12-19-18-11-15(24(30)28-7-9-31-10-8-28)3-6-21(18)27-22(19)20(13-16)23(26)29/h1-6,11-13,27H,7-10H2,(H2,26,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 25: 4265-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50094661
(CHEMBL3589166)Show SMILES COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3ccc(cc3c2c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C17H21N5O/c1-3-12-5-4-6-13(7-12)8-14(11(2)23)22-10-21-15-16(18)19-9-20-17(15)22/h4-7,9-11,14,23H,3,8H2,1-2H3,(H2,18,19,20)/t11-,14?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 25: 4265-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17 |
More data for this Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50078359
(CHEMBL3414729)Show SMILES [H][C@@]12CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)[C@@]([H])(C1)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1cn(nn1)[C@]1([H])CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)[C@@]([H])(C1)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1cn2nn1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C64H80N16O12/c1-33(2)53(71-55(81)35(5)65-7)61(87)77-31-45-27-51(77)59(85)67-47(23-37-17-19-39-13-9-11-15-41(39)21-37)57(83)69-50(64(91)92)26-44-30-80(76-74-44)46-28-52(78(32-46)62(88)54(34(3)4)72-56(82)36(6)66-8)60(86)68-48(24-38-18-20-40-14-10-12-16-42(40)22-38)58(84)70-49(63(89)90)25-43-29-79(45)75-73-43/h9-22,29-30,33-36,45-54,65-66H,23-28,31-32H2,1-8H3,(H,67,85)(H,68,86)(H,69,83)(H,70,84)(H,71,81)(H,72,82)(H,89,90)(H,91,92)/t35-,36-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ensemble Therapeutics Corp
Curated by ChEMBL
| Assay Description Inhibition of cIAP1 BIR2-3 (154 to 352 residues) (unknown origin) fluoresceinated dimeric SMAC peptide based fluorescence polarization assay |
J Med Chem 58: 2855-61 (2015)
Article DOI: 10.1021/jm501892g BindingDB Entry DOI: 10.7270/Q2RF5WQ0 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50123457
(CHEMBL3622193)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C34H33FN6O3/c1-39(2)22-10-7-20(8-11-22)33(43)38-27-6-4-5-24(30(27)35)23-13-14-26(32(36)42)31-29(23)25-12-9-21(19-28(25)37-31)34(44)41-17-15-40(3)16-18-41/h4-14,19,37H,15-18H2,1-3H3,(H2,36,42)(H,38,43) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human recombinant BTK |
Bioorg Med Chem Lett 25: 4265-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17 |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50573688
(CHEMBL4127773)Show SMILES COc1ncccc1-c1cnn2ccc(nc12)N1CCN(CC1)C(=O)OC(C)C | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01966 BindingDB Entry DOI: 10.7270/Q29P35QX |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50573688
(CHEMBL4127773)Show SMILES COc1ncccc1-c1cnn2ccc(nc12)N1CCN(CC1)C(=O)OC(C)C | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of AAK1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00472 BindingDB Entry DOI: 10.7270/Q2WQ07KF |
More data for this Ligand-Target Pair | |
Cytoplasmic tyrosine-protein kinase BMX
(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 antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of BMX (unknown origin) |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50463560
(CHEMBL4249247)Show SMILES CC(C)(O)C1CCc2c(C1)[nH]c1c(ccc(-c3cccc(CNC(=O)C=C)c3)c21)C(N)=O Show InChI InChI=1S/C26H29N3O3/c1-4-22(30)28-14-15-6-5-7-16(12-15)18-10-11-20(25(27)31)24-23(18)19-9-8-17(26(2,3)32)13-21(19)29-24/h4-7,10-12,17,29,32H,1,8-9,13-14H2,2-3H3,(H2,27,31)(H,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ... |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50123554
(CHEMBL3622190)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C35H36N6O3/c1-21-25(6-5-7-29(21)38-34(43)22-8-11-24(12-9-22)39(2)3)26-14-15-28(33(36)42)32-31(26)27-13-10-23(20-30(27)37-32)35(44)41-18-16-40(4)17-19-41/h5-15,20,37H,16-19H2,1-4H3,(H2,36,42)(H,38,43) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human recombinant BTK |
Bioorg Med Chem Lett 25: 4265-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50123553
(CHEMBL3622189)Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccc(F)cc4)c3C)c21)C(N)=O Show InChI InChI=1S/C33H30FN5O3/c1-19-23(4-3-5-27(19)37-32(41)20-6-9-22(34)10-7-20)24-12-13-26(31(35)40)30-29(24)25-11-8-21(18-28(25)36-30)33(42)39-16-14-38(2)15-17-39/h3-13,18,36H,14-17H2,1-2H3,(H2,35,40)(H,37,41) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human recombinant BTK |
Bioorg Med Chem Lett 25: 4265-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17 |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50502295
(CHEMBL4439128)Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]cc(C#Cc3cccnc3)c2c1 Show InChI InChI=1S/C22H17N3O2/c1-26-20-8-7-16(11-21(20)27-2)18-10-19-17(13-24-22(19)25-14-18)6-5-15-4-3-9-23-12-15/h3-4,7-14H,1-2H3,(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of AAK1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00472 BindingDB Entry DOI: 10.7270/Q2WQ07KF |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50502295
(CHEMBL4439128)Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]cc(C#Cc3cccnc3)c2c1 Show InChI InChI=1S/C22H17N3O2/c1-26-20-8-7-16(11-21(20)27-2)18-10-19-17(13-24-22(19)25-14-18)6-5-15-4-3-9-23-12-15/h3-4,7-14H,1-2H3,(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01966 BindingDB Entry DOI: 10.7270/Q29P35QX |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50603680
(CHEMBL5194899)Show SMILES CC(C)C[C@H](N)c1cc(C#N)c2cc(ccc2n1)-c1cnco1 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01966 BindingDB Entry DOI: 10.7270/Q29P35QX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50123563
(CHEMBL3622198)Show SMILES COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C26H26N4O3/c1-29-8-10-30(11-9-29)26(32)17-6-7-20-21-13-18(16-4-3-5-19(12-16)33-2)14-22(25(27)31)24(21)28-23(20)15-17/h3-7,12-15,28H,8-11H2,1-2H3,(H2,27,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 25: 4265-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM377342
(US10266491, Example 10 | US10676434, Example 10 | ...)Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Inhibition of BTK in human Ramos cells assessed as reduction in intracellular calcium level incubated for 1 hr measured for 180 secs by FLIPR assay |
Bioorg Med Chem Lett 28: 3080-3084 (2018)
Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50573690
(CHEMBL4855590)Show SMILES CN(CCNc1ccc2ncc(-c3ccc(cc3)C(N)=O)n2n1)C(=O)OC(C)(C)C | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01966 BindingDB Entry DOI: 10.7270/Q29P35QX |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50573690
(CHEMBL4855590)Show SMILES CN(CCNc1ccc2ncc(-c3ccc(cc3)C(N)=O)n2n1)C(=O)OC(C)(C)C | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of AAK1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00472 BindingDB Entry DOI: 10.7270/Q2WQ07KF |
More data for this Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50078360
(CHEMBL3414728)Show SMILES [H][C@@]12CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@]([H])(C1)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@]3([H])CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@]([H])(C3)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCc4cn2nn4)cc3)C(O)=O)cc1)C(O)=O |r| Show InChI InChI=1S/C80H96N16O14/c1-45(81-9)69(97)87-67(79(3,4)5)75(103)93-41-57-37-65(93)73(101)83-61(35-49-19-25-51-15-11-13-17-53(51)31-49)71(99)85-63(77(105)106)33-47-23-29-60(30-24-47)110-44-56-40-96(92-90-56)58-38-66(94(42-58)76(104)68(80(6,7)8)88-70(98)46(2)82-10)74(102)84-62(36-50-20-26-52-16-12-14-18-54(52)32-50)72(100)86-64(78(107)108)34-48-21-27-59(28-22-48)109-43-55-39-95(57)91-89-55/h11-32,39-40,45-46,57-58,61-68,81-82H,33-38,41-44H2,1-10H3,(H,83,101)(H,84,102)(H,85,99)(H,86,100)(H,87,97)(H,88,98)(H,105,106)(H,107,108)/t45-,46-,57-,58-,61-,62-,63-,64-,65-,66-,67+,68+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ensemble Therapeutics Corp
Curated by ChEMBL
| Assay Description Inhibition of cIAP1 BIR2-3 (154 to 352 residues) (unknown origin) fluoresceinated dimeric SMAC peptide based fluorescence polarization assay |
J Med Chem 58: 2855-61 (2015)
Article DOI: 10.1021/jm501892g BindingDB Entry DOI: 10.7270/Q2RF5WQ0 |
More data for this Ligand-Target Pair | |