Found 94 hits with Last Name = 'kondru' and Initial = 'rk' 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)) | BDBM122415
(US8729078, I-25)Show SMILES CN1CCn2nc(Nc3nn(cc3C(N)=O)-c3cccc(c3CO)-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)cc2C1 Show InChI InChI=1S/C30H32FN9O3/c1-30(2,3)18-10-17-13-33-40(29(43)26(17)22(31)11-18)24-7-5-6-23(21(24)16-41)39-15-20(27(32)42)28(36-39)34-25-12-19-14-37(4)8-9-38(19)35-25/h5-7,10-13,15,41H,8-9,14,16H2,1-4H3,(H2,32,42)(H,34,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122417
(US8729078, I-27)Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(cc4)S(C)(=O)=O)n3)c2=O)c1 Show InChI InChI=1S/C30H29FN6O5S/c1-30(2,3)18-12-17-14-33-37(29(40)26(17)23(31)13-18)25-7-5-6-24(22(25)16-38)36-15-21(27(32)39)28(35-36)34-19-8-10-20(11-9-19)43(4,41)42/h5-15,38H,16H2,1-4H3,(H2,32,39)(H,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122442
(US8729078, I-53)Show SMILES CC(=O)c1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(ccc3c2=O)C(C)(C)C)cc1 Show InChI InChI=1S/C31H30N6O4/c1-18(39)19-8-11-22(12-9-19)34-29-24(28(32)40)16-36(35-29)26-6-5-7-27(25(26)17-38)37-30(41)23-13-10-21(31(2,3)4)14-20(23)15-33-37/h5-16,38H,17H2,1-4H3,(H2,32,40)(H,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122428
(US8729078, I-38)Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(cn4)S(C)(=O)=O)n3)c2=O)c1 Show InChI InChI=1S/C29H28FN7O5S/c1-29(2,3)17-10-16-12-33-37(28(40)25(16)21(30)11-17)23-7-5-6-22(20(23)15-38)36-14-19(26(31)39)27(35-36)34-24-9-8-18(13-32-24)43(4,41)42/h5-14,38H,15H2,1-4H3,(H2,31,39)(H,32,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122414
(US8729078, I-24)Show SMILES CC(C)(CN1CCC1)Oc1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nc1 Show InChI InChI=1S/C35H39FN8O4/c1-34(2,3)22-14-21-16-39-44(33(47)30(21)26(36)15-22)28-9-6-8-27(25(28)19-45)43-18-24(31(37)46)32(41-43)40-29-11-10-23(17-38-29)48-35(4,5)20-42-12-7-13-42/h6,8-11,14-18,45H,7,12-13,19-20H2,1-5H3,(H2,37,46)(H,38,40,41) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122429
(US8729078, I-39)Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(cn4)C#N)n3)c2=O)c1 Show InChI InChI=1S/C29H25FN8O3/c1-29(2,3)18-9-17-13-34-38(28(41)25(17)21(30)10-18)23-6-4-5-22(20(23)15-39)37-14-19(26(32)40)27(36-37)35-24-8-7-16(11-31)12-33-24/h4-10,12-14,39H,15H2,1-3H3,(H2,32,40)(H,33,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122418
(US8729078, I-28)Show SMILES Cn1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)n1 Show InChI InChI=1S/C27H27FN8O3/c1-27(2,3)16-10-15-12-30-36(26(39)23(15)19(28)11-16)21-7-5-6-20(18(21)14-37)35-13-17(24(29)38)25(33-35)31-22-8-9-34(4)32-22/h5-13,37H,14H2,1-4H3,(H2,29,38)(H,31,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122420
(US8729078, I-30)Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(F)cn4)n3)c2=O)c1 Show InChI InChI=1S/C28H25F2N7O3/c1-28(2,3)16-9-15-11-33-37(27(40)24(15)20(30)10-16)22-6-4-5-21(19(22)14-38)36-13-18(25(31)39)26(35-36)34-23-8-7-17(29)12-32-23/h4-13,38H,14H2,1-3H3,(H2,31,39)(H,32,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122423
(US8729078, I-33)Show SMILES Cc1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nc1 Show InChI InChI=1S/C29H28FN7O3/c1-16-8-9-24(32-12-16)34-27-19(26(31)39)14-36(35-27)22-6-5-7-23(20(22)15-38)37-28(40)25-17(13-33-37)10-18(11-21(25)30)29(2,3)4/h5-14,38H,15H2,1-4H3,(H2,31,39)(H,32,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122413
(US8729078, I-23)Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(Cl)cn4)n3)c2=O)c1 Show InChI InChI=1S/C28H25ClFN7O3/c1-28(2,3)16-9-15-11-33-37(27(40)24(15)20(30)10-16)22-6-4-5-21(19(22)14-38)36-13-18(25(31)39)26(35-36)34-23-8-7-17(29)12-32-23/h4-13,38H,14H2,1-3H3,(H2,31,39)(H,32,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122421
(US8729078, I-31)Show SMILES Cc1cc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nn1C Show InChI InChI=1S/C28H29FN8O3/c1-15-9-23(33-35(15)5)32-26-18(25(30)39)13-36(34-26)21-7-6-8-22(19(21)14-38)37-27(40)24-16(12-31-37)10-17(11-20(24)29)28(2,3)4/h6-13,38H,14H2,1-5H3,(H2,30,39)(H,32,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50388189
(CHEMBL2057918)Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)nc1 Show InChI InChI=1S/C35H35FN6O3/c1-39-12-14-41(15-13-39)26-8-9-32(37-19-26)38-30-18-25(20-40(2)34(30)44)27-4-3-5-31(28(27)21-43)42-11-10-23-16-24(22-6-7-22)17-29(36)33(23)35(42)45/h3-5,8-11,16-20,22,43H,6-7,12-15,21H2,1-2H3,(H,37,38) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Competitive inhibition of BTK by TR-FRET based competitive assay |
J Med Chem 55: 4539-50 (2012)
Article DOI: 10.1021/jm300035p BindingDB Entry DOI: 10.7270/Q27H1KMF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122416
(US8729078, I-26)Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccccn4)n3)c2=O)c1 Show InChI InChI=1S/C28H26FN7O3/c1-28(2,3)17-11-16-13-32-36(27(39)24(16)20(29)12-17)22-8-6-7-21(19(22)15-37)35-14-18(25(30)38)26(34-35)33-23-9-4-5-10-31-23/h4-14,37H,15H2,1-3H3,(H2,30,38)(H,31,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.360 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122444
(US8729078, I-55)Show SMILES CN(C)Cc1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(ccc3c2=O)C(C)(C)C)nc1 Show InChI InChI=1S/C31H34N8O3/c1-31(2,3)21-10-11-22-20(13-21)15-34-39(30(22)42)26-8-6-7-25(24(26)18-40)38-17-23(28(32)41)29(36-38)35-27-12-9-19(14-33-27)16-37(4)5/h6-15,17,40H,16,18H2,1-5H3,(H2,32,41)(H,33,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122419
(US8729078, I-29)Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4cnccn4)n3)c2=O)c1 Show InChI InChI=1S/C27H25FN8O3/c1-27(2,3)16-9-15-11-32-36(26(39)23(15)19(28)10-16)21-6-4-5-20(18(21)14-37)35-13-17(24(29)38)25(34-35)33-22-12-30-7-8-31-22/h4-13,37H,14H2,1-3H3,(H2,29,38)(H,31,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Blk
(Homo sapiens (Human)) | BDBM50357312
(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of BLK |
J Med Chem 55: 4539-50 (2012)
Article DOI: 10.1021/jm300035p BindingDB Entry DOI: 10.7270/Q27H1KMF |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122424
(US8729078, I-34)Show SMILES Cc1cc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(ccc3c2=O)C(C)(C)C)nn1C Show InChI InChI=1S/C28H30N8O3/c1-16-11-24(32-34(16)5)31-26-20(25(29)38)14-35(33-26)22-7-6-8-23(21(22)15-37)36-27(39)19-10-9-18(28(2,3)4)12-17(19)13-30-36/h6-14,37H,15H2,1-5H3,(H2,29,38)(H,31,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122425
(US8729078, I-35)Show SMILES CC(C)(C)c1ccc2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(F)cn4)n3)c2=O)c1 Show InChI InChI=1S/C28H26FN7O3/c1-28(2,3)17-7-9-19-16(11-17)12-32-36(27(19)39)23-6-4-5-22(21(23)15-37)35-14-20(25(30)38)26(34-35)33-24-10-8-18(29)13-31-24/h4-14,37H,15H2,1-3H3,(H2,30,38)(H,31,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122422
(US8729078, I-32)Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(cn4)C(F)(F)F)n3)c2=O)c1 Show InChI InChI=1S/C29H25F4N7O3/c1-28(2,3)17-9-15-11-36-40(27(43)24(15)20(30)10-17)22-6-4-5-21(19(22)14-41)39-13-18(25(34)42)26(38-39)37-23-8-7-16(12-35-23)29(31,32)33/h4-13,41H,14H2,1-3H3,(H2,34,42)(H,35,37,38) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50388185
(CHEMBL2057919)Show SMILES Cc1c(cccc1-n1cnc2ccc(F)cc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(O)CO Show InChI InChI=1S/C30H23FN4O4/c1-15-18(3-2-4-25(15)35-14-33-23-10-6-17(31)12-22(23)30(35)39)19-8-9-21(29(32)38)28-27(19)20-7-5-16(26(37)13-36)11-24(20)34-28/h2-12,14,26,34,36-37H,13H2,1H3,(H2,32,38) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of human BTK by enzymatic assay |
J Med Chem 55: 4539-50 (2012)
Article DOI: 10.1021/jm300035p BindingDB Entry DOI: 10.7270/Q27H1KMF |
More data for this Ligand-Target Pair | |
Cytoplasmic tyrosine-protein kinase BMX
(Homo sapiens (Human)) | BDBM50357312
(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of BMX |
J Med Chem 55: 4539-50 (2012)
Article DOI: 10.1021/jm300035p BindingDB Entry DOI: 10.7270/Q27H1KMF |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM205093
(US9556147, 2)Show SMILES CN1CCC[C@H]1c1ccc(Nc2cc-3c(CC(O)Cc4c-3cccc4-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)n(C)c2=O)nc1 |r| Show InChI InChI=1S/C37H39FN6O3/c1-37(2,3)23-14-22-20-40-44(36(47)34(22)28(38)15-23)31-9-6-8-25-26(31)16-24(45)17-32-27(25)18-29(35(46)43(32)5)41-33-12-11-21(19-39-33)30-10-7-13-42(30)4/h6,8-9,11-12,14-15,18-20,24,30,45H,7,10,13,16-17H2,1-5H3,(H,39,41)/t24?,30-/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 | 0.820 | n/a | n/a | n/a | n/a | 7.2 | n/a |
HOFFMANN-LA INC.
US Patent
| Assay Description The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of BTK, biotinylated SH2 peptide substrate (Src... |
US Patent US9556147 (2017)
BindingDB Entry DOI: 10.7270/Q2HX1FP9 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122426
(US8729078, I-36)Show SMILES CC(C)(C)c1ccc2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4cnccn4)n3)c2=O)c1 Show InChI InChI=1S/C27H26N8O3/c1-27(2,3)17-7-8-18-16(11-17)12-31-35(26(18)38)22-6-4-5-21(20(22)15-36)34-14-19(24(28)37)25(33-34)32-23-13-29-9-10-30-23/h4-14,36H,15H2,1-3H3,(H2,28,37)(H,30,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.830 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM205094
(US9556147, 3)Show SMILES Cn1c2C[C@@H](O)Cc3c(cccc3-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)-c2cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O |r| Show InChI InChI=1S/C37H37FN6O5/c1-37(2,3)23-14-22-20-40-44(36(48)33(22)28(38)15-23)30-7-5-6-25-26(30)16-24(45)17-31-27(25)18-29(35(47)42(31)4)41-32-9-8-21(19-39-32)34(46)43-10-12-49-13-11-43/h5-9,14-15,18-20,24,45H,10-13,16-17H2,1-4H3,(H,39,41)/t24-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB US Patent
| n/a | n/a | 0.910 | n/a | n/a | n/a | n/a | 7.2 | n/a |
HOFFMANN-LA INC.
US Patent
| Assay Description The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of BTK, biotinylated SH2 peptide substrate (Src... |
US Patent US9556147 (2017)
BindingDB Entry DOI: 10.7270/Q2HX1FP9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM205082
(US9556147, 1)Show SMILES Cn1c2CC(O)Cc3c(cccc3-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)-c2cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O Show InChI InChI=1S/C37H37FN6O5/c1-37(2,3)23-14-22-20-40-44(36(48)33(22)28(38)15-23)30-7-5-6-25-26(30)16-24(45)17-31-27(25)18-29(35(47)42(31)4)41-32-9-8-21(19-39-32)34(46)43-10-12-49-13-11-43/h5-9,14-15,18-20,24,45H,10-13,16-17H2,1-4H3,(H,39,41) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB US Patent
| n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | 7.2 | n/a |
HOFFMANN-LA INC.
US Patent
| Assay Description The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of BTK, biotinylated SH2 peptide substrate (Src... |
US Patent US9556147 (2017)
BindingDB Entry DOI: 10.7270/Q2HX1FP9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122443
(US8729078, I-54)Show SMILES CC(C)(C)c1ccc2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccccn4)n3)c2=O)c1 Show InChI InChI=1S/C28H27N7O3/c1-28(2,3)18-10-11-19-17(13-18)14-31-35(27(19)38)23-8-6-7-22(21(23)16-36)34-15-20(25(29)37)26(33-34)32-24-9-4-5-12-30-24/h4-15,36H,16H2,1-3H3,(H2,29,37)(H,30,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50388190
(CHEMBL2057923)Show SMILES Nc1[nH]nc2cc(nc(-c3ccc(Oc4ccccc4)cc3)c12)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C25H18N4O3/c26-24-22-21(28-29-24)14-20(15-6-8-17(9-7-15)25(30)31)27-23(22)16-10-12-19(13-11-16)32-18-4-2-1-3-5-18/h1-14H,(H,30,31)(H3,26,28,29) | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of human BTK by enzymatic assay |
J Med Chem 55: 4539-50 (2012)
Article DOI: 10.1021/jm300035p BindingDB Entry DOI: 10.7270/Q27H1KMF |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122427
(US8729078, I-37)Show SMILES Cc1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(ccc3c2=O)C(C)(C)C)nc1 Show InChI InChI=1S/C29H29N7O3/c1-17-8-11-25(31-13-17)33-27-21(26(30)38)15-35(34-27)23-6-5-7-24(22(23)16-37)36-28(39)20-10-9-19(29(2,3)4)12-18(20)14-32-36/h5-15,37H,16H2,1-4H3,(H2,30,38)(H,31,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 1.13 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM205095
(US9556147, 4)Show SMILES Cn1c2C[C@H](O)Cc3c(cccc3-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)-c2cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O |r| Show InChI InChI=1S/C37H37FN6O5/c1-37(2,3)23-14-22-20-40-44(36(48)33(22)28(38)15-23)30-7-5-6-25-26(30)16-24(45)17-31-27(25)18-29(35(47)42(31)4)41-32-9-8-21(19-39-32)34(46)43-10-12-49-13-11-43/h5-9,14-15,18-20,24,45H,10-13,16-17H2,1-4H3,(H,39,41)/t24-/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 | 1.30 | n/a | n/a | n/a | n/a | 7.2 | n/a |
HOFFMANN-LA INC.
US Patent
| Assay Description The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of BTK, biotinylated SH2 peptide substrate (Src... |
US Patent US9556147 (2017)
BindingDB Entry DOI: 10.7270/Q2HX1FP9 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50357333
(CHEMBL1916891)Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21 Show InChI InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7+ | 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 | 1.93 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of human BTK by enzymatic assay |
J Med Chem 55: 4539-50 (2012)
Article DOI: 10.1021/jm300035p BindingDB Entry DOI: 10.7270/Q27H1KMF |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50388181
(CHEMBL2057913)Show SMILES COc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)-c1c(Cl)c(C2CCCN(C2)C(=O)C=C)n2ncnc(N)c12 Show InChI InChI=1S/C27H24Cl3N5O3/c1-3-22(36)34-10-4-5-16(13-34)25-24(30)23(26-27(31)32-14-33-35(25)26)15-6-9-20(21(11-15)37-2)38-17-7-8-18(28)19(29)12-17/h3,6-9,11-12,14,16H,1,4-5,10,13H2,2H3,(H2,31,32,33) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of human BTK by enzymatic assay |
J Med Chem 55: 4539-50 (2012)
Article DOI: 10.1021/jm300035p BindingDB Entry DOI: 10.7270/Q27H1KMF |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50039982
(CHEMBL3358345)Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nc1 Show InChI InChI=1S/C36H40FN7O3/c1-6-42-12-14-43(15-13-42)26-10-11-32(38-20-26)40-30-17-24(21-41(5)34(30)46)27-8-7-9-31(28(27)22-45)44-35(47)33-23(19-39-44)16-25(18-29(33)37)36(2,3)4/h7-11,16-21,45H,6,12-15,22H2,1-5H3,(H,38,40) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of BTK in human whole blood assessed as decrease in CD69 positive cells |
Bioorg Med Chem Lett 25: 367-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.030 BindingDB Entry DOI: 10.7270/Q2BZ67N2 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50388183
(CHEMBL2057915)Show SMILES CN1CCN(C)C(=O)[C@H]1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1 |r| Show InChI InChI=1S/C33H36N6O3S/c1-20-24(9-7-10-25(20)36-31(40)28-18-22-8-5-6-11-27(22)43-28)26-19-39(4)33(42)30(35-26)34-23-14-12-21(13-15-23)29-32(41)38(3)17-16-37(29)2/h7,9-10,12-15,18-19,29H,5-6,8,11,16-17H2,1-4H3,(H,34,35)(H,36,40)/t29-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of human BTK by enzymatic assay |
J Med Chem 55: 4539-50 (2012)
Article DOI: 10.1021/jm300035p BindingDB Entry DOI: 10.7270/Q27H1KMF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122403
(US8729078, I-9)Show SMILES Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C Show InChI InChI=1S/C25H25FN4O3/c1-25(2,3)16-8-14-11-28-30(24(33)22(14)19(26)10-16)20-7-5-6-17(18(20)13-31)15-9-21(23(27)32)29(4)12-15/h5-12,31H,13H2,1-4H3,(H2,27,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 2.51 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122433
(US8729078, I-43)Show SMILES CN1CCN(CC1)c1ccc2c(cn(-c3cccc(c3CO)-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)c2n1)C(N)=O Show InChI InChI=1S/C32H34FN7O3/c1-32(2,3)20-14-19-16-35-40(31(43)28(19)24(33)15-20)26-7-5-6-25(23(26)18-41)39-17-22(29(34)42)21-8-9-27(36-30(21)39)38-12-10-37(4)11-13-38/h5-9,14-17,41H,10-13,18H2,1-4H3,(H2,34,42) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 2.83 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50039983
(CHEMBL3358346)Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nc1 Show InChI InChI=1S/C35H38FN7O3/c1-35(2,3)24-15-22-18-38-43(34(46)32(22)28(36)17-24)30-8-6-7-26(27(30)21-44)23-16-29(33(45)41(5)20-23)39-31-10-9-25(19-37-31)42-13-11-40(4)12-14-42/h6-10,15-20,44H,11-14,21H2,1-5H3,(H,37,39) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of BTK in human whole blood assessed as decrease in CD69 positive cells |
Bioorg Med Chem Lett 25: 367-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.030 BindingDB Entry DOI: 10.7270/Q2BZ67N2 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122409
(US8729078, I-15)Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4cccnc34)c2=O)c1 Show InChI InChI=1S/C27H24FN5O3/c1-27(2,3)16-10-15-12-31-33(26(36)23(15)20(28)11-16)22-8-4-7-21(19(22)14-34)32-13-18(24(29)35)17-6-5-9-30-25(17)32/h4-13,34H,14H2,1-3H3,(H2,29,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50039978
(CHEMBL3352876)Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)nc1 Show InChI InChI=1S/C36H37FN6O3/c1-3-41-13-15-42(16-14-41)27-9-10-33(38-20-27)39-31-19-26(21-40(2)35(31)45)28-5-4-6-32(29(28)22-44)43-12-11-24-17-25(23-7-8-23)18-30(37)34(24)36(43)46/h4-6,9-12,17-21,23,44H,3,7-8,13-16,22H2,1-2H3,(H,38,39) | PDB MMDB
NCI pathway 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of BTK in human whole blood assessed as decrease in CD69 positive cells |
Bioorg Med Chem Lett 25: 367-71 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.030 BindingDB Entry DOI: 10.7270/Q2BZ67N2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122411
(US8729078, I-17)Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4ccccc34)c2=O)c1 Show InChI InChI=1S/C28H25FN4O3/c1-28(2,3)17-11-16-13-31-33(27(36)25(16)21(29)12-17)24-10-6-9-23(20(24)15-34)32-14-19(26(30)35)18-7-4-5-8-22(18)32/h4-14,34H,15H2,1-3H3,(H2,30,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM13216
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of human BTK by enzymatic assay |
J Med Chem 55: 4539-50 (2012)
Article DOI: 10.1021/jm300035p BindingDB Entry DOI: 10.7270/Q27H1KMF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122432
(US8729078, I-42)Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4cncnc34)c2=O)c1 Show InChI InChI=1S/C26H23FN6O3/c1-26(2,3)15-7-14-9-31-33(25(36)22(14)19(27)8-15)21-6-4-5-20(18(21)12-34)32-11-17(23(28)35)16-10-29-13-30-24(16)32/h4-11,13,34H,12H2,1-3H3,(H2,28,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 7.32 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122438
(US8729078, I-48)Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4ccc(Br)nc34)c2=O)c1 Show InChI InChI=1S/C27H23BrFN5O3/c1-27(2,3)15-9-14-11-31-34(26(37)23(14)19(29)10-15)21-6-4-5-20(18(21)13-35)33-12-17(24(30)36)16-7-8-22(28)32-25(16)33/h4-12,35H,13H2,1-3H3,(H2,30,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 7.74 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50388180
(CHEMBL2057912)Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1 Show InChI InChI=1S/C22H21N5O/c23-21-19-20(26-27(16-6-4-5-7-16)22(19)25-14-24-21)15-10-12-18(13-11-15)28-17-8-2-1-3-9-17/h1-3,8-14,16H,4-7H2,(H2,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of human BTK by enzymatic assay |
J Med Chem 55: 4539-50 (2012)
Article DOI: 10.1021/jm300035p BindingDB Entry DOI: 10.7270/Q27H1KMF |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122434
(US8729078, I-44)Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4ccc(nc34)N3CCOCC3)c2=O)c1 Show InChI InChI=1S/C31H31FN6O4/c1-31(2,3)19-13-18-15-34-38(30(41)27(18)23(32)14-19)25-6-4-5-24(22(25)17-39)37-16-21(28(33)40)20-7-8-26(35-29(20)37)36-9-11-42-12-10-36/h4-8,13-16,39H,9-12,17H2,1-3H3,(H2,33,40) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 10.3 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50388185
(CHEMBL2057919)Show SMILES Cc1c(cccc1-n1cnc2ccc(F)cc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(O)CO Show InChI InChI=1S/C30H23FN4O4/c1-15-18(3-2-4-25(15)35-14-33-23-10-6-17(31)12-22(23)30(35)39)19-8-9-21(29(32)38)28-27(19)20-7-5-16(26(37)13-36)11-24(20)34-28/h2-12,14,26,34,36-37H,13H2,1H3,(H2,32,38) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of BTK in human Ramos cells by FLIPR assay |
J Med Chem 55: 4539-50 (2012)
Article DOI: 10.1021/jm300035p BindingDB Entry DOI: 10.7270/Q27H1KMF |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122435
(US8729078, I-45)Show SMILES CCOc1ccc(cn1)-c1ccc2c(cn(-c3cccc(c3CO)-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)c2n1)C(N)=O Show InChI InChI=1S/C34H31FN6O4/c1-5-45-29-12-9-19(15-37-29)26-11-10-22-23(31(36)43)17-40(32(22)39-26)27-7-6-8-28(24(27)18-42)41-33(44)30-20(16-38-41)13-21(14-25(30)35)34(2,3)4/h6-17,42H,5,18H2,1-4H3,(H2,36,43) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 11.0 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122399
(US8729078, I-4)Show SMILES Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1ncc2cc(ccc2c1=O)C(C)(C)C Show InChI InChI=1S/C25H26N4O3/c1-25(2,3)17-8-9-19-15(10-17)12-27-29(24(19)32)21-7-5-6-18(20(21)14-30)16-11-22(23(26)31)28(4)13-16/h5-13,30H,14H2,1-4H3,(H2,26,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 11.6 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM122440
(US8729078, I-50)Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c4ccc(nc34)N3CCS(=O)(=O)CC3)c2=O)c1 Show InChI InChI=1S/C31H31FN6O5S/c1-31(2,3)19-13-18-15-34-38(30(41)27(18)23(32)14-19)25-6-4-5-24(22(25)17-39)37-16-21(28(33)40)20-7-8-26(35-29(20)37)36-9-11-44(42,43)12-10-36/h4-8,13-16,39H,9-12,17H2,1-3H3,(H2,33,40) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 12.7 | n/a | n/a | n/a | n/a | 7.2 | n/a |
Hoffmann-La Roche Inc.
US Patent
| Assay Description Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a... |
US Patent US8729078 (2014)
BindingDB Entry DOI: 10.7270/Q2W66JGX |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50388184
(CHEMBL2057916)Show SMILES CCNC(=O)Nc1cc(cn(C)c1=O)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c1C Show InChI InChI=1S/C27H32N4O3/c1-7-28-26(34)30-23-15-19(16-31(6)25(23)33)21-9-8-10-22(17(21)2)29-24(32)18-11-13-20(14-12-18)27(3,4)5/h8-16H,7H2,1-6H3,(H,29,32)(H2,28,30,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of human BTK by enzymatic assay |
J Med Chem 55: 4539-50 (2012)
Article DOI: 10.1021/jm300035p BindingDB Entry DOI: 10.7270/Q27H1KMF |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50388186
(CHEMBL2057920)Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nc(Nc2ccc(cc2)C(=O)N2CCNCC2)c2nccn2n1 |r| Show InChI InChI=1S/C32H39N9O2/c1-32(2,3)24-10-6-22(7-11-24)29(42)36-26-5-4-17-40(21-26)31-37-27(28-34-16-20-41(28)38-31)35-25-12-8-23(9-13-25)30(43)39-18-14-33-15-19-39/h6-13,16,20,26,33H,4-5,14-15,17-19,21H2,1-3H3,(H,36,42)(H,35,37,38)/t26-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description Inhibition of human BTK by enzymatic assay |
J Med Chem 55: 4539-50 (2012)
Article DOI: 10.1021/jm300035p BindingDB Entry DOI: 10.7270/Q27H1KMF |
More data for this Ligand-Target Pair | |