Found 1005 hits with Last Name = 'kaptein' and Initial = 'a' 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)) | BDBM474107
(Pazopanib metabolite M27 | US10858364, Compound M2...)Show SMILES Cc1n(C)nc2cc(Nc3ccnc(Nc4ccc(C)c(c4)S(N)(=O)=O)n3)ccc12 Show InChI InChI=1S/C20H21N7O2S/c1-12-4-5-15(11-18(12)30(21,28)29)24-20-22-9-8-19(25-20)23-14-6-7-16-13(2)27(3)26-17(16)10-14/h4-11H,1-3H3,(H2,21,28,29)(H2,22,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| US Patent
| 188 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Acerta Pharma B.V.
US Patent
| Assay Description Inhibitory activity on BTK wild type (BTK-WT) and BTK Cys481Ser mutant (BTK-C481S) was measured using the LanthaScreen assay technology from ThermoFi... |
US Patent US10858364 (2020)
BindingDB Entry DOI: 10.7270/Q2ZS30NW |
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 | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full length human His-tagged BLK cytoplasmic domain expressed in baculovirus expression system using tyrosine-1 peptide as ... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127261 BindingDB Entry DOI: 10.7270/Q2TB1BM3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50558092
(CHEMBL4784814)Show SMILES C[C@H](O)C(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| | 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 | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50559911
(CHEMBL4744536)Show SMILES COCC#CC(=O)Nc1ccc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2c1 | 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 | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant full length N-terminal His6-tagged BTK expressed in baculovirus infected Sf9 cells using fluorescein labeled Blk/Lynt... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127261 BindingDB Entry DOI: 10.7270/Q2TB1BM3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM267789
(4-{8-amino-3-[(3R,6S)-1-(cyclopropylcarbonyl)-6-me...)Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C30H29F4N7O3/c1-16-3-4-18(13-41(16)28(43)29(2)14-44-15-29)26-39-23(24-25(35)37-9-10-40(24)26)20-6-5-17(11-21(20)31)27(42)38-22-12-19(7-8-36-22)30(32,33)34/h5-12,16,18H,3-4,13-15H2,1-2H3,(H2,35,37)(H,36,38,42)/t16-,18+/m0/s1 | 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 |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50558095
(CHEMBL4752314)Show SMILES C[C@H]1CC[C@H](CN1C(C)=O)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| | 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 |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50558093
(CHEMBL4798236)Show SMILES C[C@@H](O)C(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| | 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 | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50558088
(CHEMBL4751655)Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1CCCO1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| | 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 | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50559913
(CHEMBL4763873)Show SMILES O=C(Nc1ccc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2c1)C#CCN1CCOCC1 | 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 | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant full length N-terminal His6-tagged BTK expressed in baculovirus infected Sf9 cells using fluorescein labeled Blk/Lynt... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127261 BindingDB Entry DOI: 10.7270/Q2TB1BM3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM267703
((R)-4-(8-amino-5-deutero-3-(1-(3-methoxypropanoyl)...)Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H28F3N7O3/c1-28(15-42-16-28)27(41)38-11-2-3-19(14-38)25-37-22(23-24(33)35-10-12-39(23)25)17-4-6-18(7-5-17)26(40)36-21-13-20(8-9-34-21)29(30,31)32/h4-10,12-13,19H,2-3,11,14-16H2,1H3,(H2,33,35)(H,34,36,40)/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM267791
(4-{8-amino-3-[(3R,6S)-1-(cyclopropylcarbonyl)-6-me...)Show SMILES CCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H27F4N7O2/c1-3-22(40)39-14-17(5-4-15(39)2)26-37-23(24-25(33)35-10-11-38(24)26)19-7-6-16(12-20(19)29)27(41)36-21-13-18(8-9-34-21)28(30,31)32/h6-13,15,17H,3-5,14H2,1-2H3,(H2,33,35)(H,34,36,41)/t15-,17+/m0/s1 | 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 | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM267790
(4-(8-amino-3-{(3R,6S)-6-methyl-1-[(3-methyloxetan-...)Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H27F4N7O2/c1-15-2-3-18(14-40(15)28(42)16-4-5-16)26-38-23(24-25(34)36-10-11-39(24)26)20-7-6-17(12-21(20)30)27(41)37-22-13-19(8-9-35-22)29(31,32)33/h6-13,15-16,18H,2-5,14H2,1H3,(H2,34,36)(H,35,37,41)/t15-,18+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM267819
(4-(8-amino-3-{(3S,6S)-6-(methoxymethyl)-1-[(3-meth...)Show SMILES COC[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C31H32F3N7O4/c1-30(16-45-17-30)29(43)41-14-20(7-8-22(41)15-44-2)27-39-24(25-26(35)37-11-12-40(25)27)18-3-5-19(6-4-18)28(42)38-23-13-21(9-10-36-23)31(32,33)34/h3-6,9-13,20,22H,7-8,14-17H2,1-2H3,(H2,35,37)(H,36,38,42)/t20-,22-/m1/s1 | 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 | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50558112
(CHEMBL4799627)Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| | 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 |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50558090
(CHEMBL4756290)Show SMILES C[C@H]1CC[C@H](CN1C(=O)C(C)(C)O)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| | 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 |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50559912
(CHEMBL4791702)Show SMILES OCC#CC(=O)Nc1ccc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2c1 | 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 | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant full length N-terminal His6-tagged BTK expressed in baculovirus infected Sf9 cells using fluorescein labeled Blk/Lynt... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127261 BindingDB Entry DOI: 10.7270/Q2TB1BM3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM267792
(4-{8-amino-3-[(3R,6S)-6-methyl-1-propanoylpiperidi...)Show SMILES COCCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H29F4N7O3/c1-16-3-4-18(15-40(16)23(41)8-12-43-2)27-38-24(25-26(34)36-10-11-39(25)27)20-6-5-17(13-21(20)30)28(42)37-22-14-19(7-9-35-22)29(31,32)33/h5-7,9-11,13-14,16,18H,3-4,8,12,15H2,1-2H3,(H2,34,36)(H,35,37,42)/t16-,18+/m0/s1 | 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 | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM267869
(4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...)Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C#N)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H27FN8O3/c1-29(15-41-16-29)28(40)37-9-2-3-19(14-37)26-36-23(24-25(32)34-8-10-38(24)26)20-5-4-18(12-21(20)30)27(39)35-22-11-17(13-31)6-7-33-22/h4-8,10-12,19H,2-3,9,14-16H2,1H3,(H2,32,34)(H,33,35,39)/t19-/m1/s1 | 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 | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM4566
(4-anilinoquinazoline deriv. 1 | CHEMBL91867 | N-{4...)Show InChI InChI=1S/C18H13BrN4O/c1-2-4-17(24)22-14-7-8-16-15(10-14)18(21-11-20-16)23-13-6-3-5-12(19)9-13/h3,5-11H,1H3,(H,22,24)(H,20,21,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a |
Covalution Pharma BV
Curated by ChEMBL
| Assay Description Inhibition of EGFR |
J Med Chem 55: 6243-62 (2012)
Article DOI: 10.1021/jm3003203 BindingDB Entry DOI: 10.7270/Q2X92CGP |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50579857
(CHEMBL5077776)Show SMILES COc1ccccc1Nc1nccc(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of wild type EGFR (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mins in presence o... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50558109
(CHEMBL4764215)Show SMILES CCOc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C4)C(=O)C4(C)COC4)n4ccnc(N)c34)c(F)c2)c1 |r| | 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 | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50558097
(CHEMBL4787427)Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(C(=O)Nc3cc(ccn3)C(F)(F)F)c(F)c2F)c2c(N)nccn12 |r| | 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 | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50558107
(CHEMBL4743911)Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(OC(F)(F)Cl)ccn2)c2c(N)nccn12 |r| | 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 | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(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 DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of His-tagged recombinant human His-tagged full length BTK expressed in baculovirus expression system using Tyr01 peptide as substrate pre... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127261 BindingDB Entry DOI: 10.7270/Q2TB1BM3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50558094
(CHEMBL4764139)Show SMILES C[C@H]1CC[C@H](CN1C(=O)c1cnoc1C)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| | 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 | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50559922
(CHEMBL4759528)Show SMILES COc1cc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2cc1NC(=O)C#CCN1CCOCC1 | 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 | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant full length N-terminal His6-tagged BTK expressed in baculovirus infected Sf9 cells using fluorescein labeled Blk/Lynt... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127261 BindingDB Entry DOI: 10.7270/Q2TB1BM3 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50322823
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Covalution Pharma BV
Curated by ChEMBL
| Assay Description Inhibition of EGFR |
J Med Chem 55: 6243-62 (2012)
Article DOI: 10.1021/jm3003203 BindingDB Entry DOI: 10.7270/Q2X92CGP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase BTK
(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 DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Covalution Pharma BV
Curated by ChEMBL
| Assay Description Inhibition of recombinant Btk after 60 mins |
J Med Chem 55: 6243-62 (2012)
Article DOI: 10.1021/jm3003203 BindingDB Entry DOI: 10.7270/Q2X92CGP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM267870
(4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...)Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(OC3CC3)ccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C31H32FN7O4/c1-31(16-42-17-31)30(41)38-11-2-3-19(15-38)28-37-25(26-27(33)35-10-12-39(26)28)22-7-4-18(13-23(22)32)29(40)36-24-14-21(8-9-34-24)43-20-5-6-20/h4,7-10,12-14,19-20H,2-3,5-6,11,15-17H2,1H3,(H2,33,35)(H,34,36,40)/t19-/m1/s1 | 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 | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50558089
(CHEMBL4788780)Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1(O)CCC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| | 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 | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50558108
(CHEMBL4783242)Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)-n2cccn2)c2c(N)nccn12 |r| | 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 | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50559919
(CHEMBL4782725)Show SMILES CC#CC(=O)Nc1cc2c(Oc3ccc(cc3)C(=O)Nc3ccccn3)ccnc2cc1OCCN1CCOCC1 | 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 | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant full length N-terminal His6-tagged BTK expressed in baculovirus infected Sf9 cells using fluorescein labeled Blk/Lynt... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127261 BindingDB Entry DOI: 10.7270/Q2TB1BM3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50558091
(CHEMBL4781173)Show SMILES C[C@H]1CC[C@H](CN1C(=O)C(C)(C)CO)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| | 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 | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM4567
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Covalution Pharma BV
Curated by ChEMBL
| Assay Description Irreversible inhibition of EGFR |
J Med Chem 55: 6243-62 (2012)
Article DOI: 10.1021/jm3003203 BindingDB Entry DOI: 10.7270/Q2X92CGP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM267867
(4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...)Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H28F3N7O3/c1-29(14-42-15-29)28(41)38-9-2-3-18(13-38)26-37-22(23-25(33)35-8-10-39(23)26)19-5-4-17(11-20(19)30)27(40)36-21-12-16(24(31)32)6-7-34-21/h4-8,10-12,18,24H,2-3,9,13-15H2,1H3,(H2,33,35)(H,34,36,40)/t18-/m1/s1 | 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 | 0.710 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50558110
(CHEMBL4794031)Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r| | 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 | 0.740 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50579860
(CHEMBL5076067)Show SMILES COc1ccccc1Nc1ncc(Cl)c(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mi... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50559914
(CHEMBL4792062)Show SMILES O=C(Nc1ccc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2c1)C#CCCN1CCOCC1 | 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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant full length N-terminal His6-tagged BTK expressed in baculovirus infected Sf9 cells using fluorescein labeled Blk/Lynt... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127261 BindingDB Entry DOI: 10.7270/Q2TB1BM3 |
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 |
TBA
| Assay Description Inhibition of His-tagged recombinant full length human His-tagged BMX cytoplasmic domain expressed in baculovirus expression system using tyrosine-1 ... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127261 BindingDB Entry DOI: 10.7270/Q2TB1BM3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM267810
(4-{8-amino-3-[(3S,6R)-1-propanoyl-6-(trifluorometh...)Show SMILES CC1(COC1)C(=O)N1C[C@@H](CC[C@@H]1C(F)F)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C30H28F5N7O3/c1-29(14-45-15-29)28(44)42-13-18(6-7-20(42)24(31)32)26-40-22(23-25(36)38-10-11-41(23)26)16-2-4-17(5-3-16)27(43)39-21-12-19(8-9-37-21)30(33,34)35/h2-5,8-12,18,20,24H,6-7,13-15H2,1H3,(H2,36,38)(H,37,39,43)/t18-,20-/m1/s1 | 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 | 0.860 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50579860
(CHEMBL5076067)Show SMILES COc1ccccc1Nc1ncc(Cl)c(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
TBA
| Assay Description Inhibition of wild type EGFR (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mins in presence o... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50579857
(CHEMBL5077776)Show SMILES COc1ccccc1Nc1nccc(n1)-c1cc2c([nH]1)C1(CCN(CC1)C(=O)C=C)CNC2=O | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
TBA
| Assay Description Inhibition of EGFR T790M/L858R double mutant (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mi... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50559920
(CHEMBL4794213)Show SMILES COCC#CC(=O)Nc1cc2c(Oc3ccc(cc3)C(=O)Nc3ccccn3)ccnc2cc1OC | 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 | 0.960 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant full length N-terminal His6-tagged BTK expressed in baculovirus infected Sf9 cells using fluorescein labeled Blk/Lynt... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127261 BindingDB Entry DOI: 10.7270/Q2TB1BM3 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM86633
(JNK-IN-8)Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)c(C)c1 Show InChI InChI=1S/C29H29N7O2/c1-20-17-24(11-12-25(20)34-29-31-15-13-26(35-29)22-8-5-14-30-19-22)33-28(38)21-7-4-9-23(18-21)32-27(37)10-6-16-36(2)3/h4-15,17-19H,16H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b10-6+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a |
Covalution Pharma BV
Curated by ChEMBL
| Assay Description Inhibition of JNK3 |
J Med Chem 55: 6243-62 (2012)
Article DOI: 10.1021/jm3003203 BindingDB Entry DOI: 10.7270/Q2X92CGP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50558098
(CHEMBL4751902)Show SMILES COc1cc(ccc1C(=O)Nc1cc(ccn1)C(F)(F)F)-c1nc([C@@H]2CCCN(C2)C(=O)C2(C)COC2)n2ccnc(N)c12 |r| | 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 | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Reversible inhibition of recombinant full length BTK (unknown origin) baculovirus infected Sf9 cells using biotinylated EQEDEPEGDYFEWLE-NH2 peptide a... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.5b00463 BindingDB Entry DOI: 10.7270/Q25B065B |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50403056
(CHEMBL2216827 | US10596172, Compound I-342 | US108...)Show SMILES CNC(=O)c1cc(Oc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)ccn1 Show InChI InChI=1S/C26H22FN7O3/c1-3-23(35)31-17-5-4-6-18(13-17)32-24-21(27)15-30-26(34-24)33-16-7-9-19(10-8-16)37-20-11-12-29-22(14-20)25(36)28-2/h3-15H,1H2,2H3,(H,28,36)(H,31,35)(H2,30,32,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Covalution Pharma BV
Curated by ChEMBL
| Assay Description Inhibition of Btk |
J Med Chem 55: 6243-62 (2012)
Article DOI: 10.1021/jm3003203 BindingDB Entry DOI: 10.7270/Q2X92CGP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50403056
(CHEMBL2216827 | US10596172, Compound I-342 | US108...)Show SMILES CNC(=O)c1cc(Oc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)ccn1 Show InChI InChI=1S/C26H22FN7O3/c1-3-23(35)31-17-5-4-6-18(13-17)32-24-21(27)15-30-26(34-24)33-16-7-9-19(10-8-16)37-20-11-12-29-22(14-20)25(36)28-2/h3-15H,1H2,2H3,(H,28,36)(H,31,35)(H2,30,32,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Covalution Pharma BV
Curated by ChEMBL
| Assay Description Inhibition of Btk in human Ramos cells |
J Med Chem 55: 6243-62 (2012)
Article DOI: 10.1021/jm3003203 BindingDB Entry DOI: 10.7270/Q2X92CGP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50559918
(CHEMBL4756092)Show SMILES CC#CC(=O)Nc1cc2c(Oc3ccc(cc3)C(=O)Nc3ccccn3)ccnc2cc1OCCCN1CCN(C)CC1 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant full length N-terminal His6-tagged BTK expressed in baculovirus infected Sf9 cells using fluorescein labeled Blk/Lynt... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127261 BindingDB Entry DOI: 10.7270/Q2TB1BM3 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50322823
((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of wild type EGFR (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mins in presence o... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50029668
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of wild type EGFR (unknown origin) preincubated for 60 mins followed by substrate addition and further incubated for 60 mins in presence o... |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128406 BindingDB Entry DOI: 10.7270/Q2G164P6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |