Found 54 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Tyrosine-protein kinase 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064869
(CHEMBL3401277)Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C32H33N5O4S/c1-20-24(7-5-8-25(20)35-30(38)28-18-22-6-3-4-9-27(22)42-28)26-19-36(2)32(40)29(34-26)33-23-12-10-21(11-13-23)31(39)37-14-16-41-17-15-37/h5,7-8,10-13,18-19H,3-4,6,9,14-17H2,1-2H3,(H,33,34)(H,35,38) | 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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM36516
(4-(tert-Butyl)-N-(2-methyl-3-(4-methyl-6-((4-(morp...)Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-13-25(14-10-23)34(2,3)4)29-21-38(5)33(42)30(36-29)35-26-15-11-24(12-16-26)32(41)39-17-19-43-20-18-39/h6-16,21H,17-20H2,1-5H3,(H,35,36)(H,37,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064866
(CHEMBL3401289)Show SMILES CN1CCC(CC1)c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1 Show InChI InChI=1S/C33H37N5O2S/c1-21-26(8-6-9-27(21)36-32(39)30-19-24-7-4-5-10-29(24)41-30)28-20-38(3)33(40)31(35-28)34-25-13-11-22(12-14-25)23-15-17-37(2)18-16-23/h6,8-9,11-14,19-20,23H,4-5,7,10,15-18H2,1-3H3,(H,34,35)(H,36,39) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064863
(CHEMBL3401292)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-/m0/s1 | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064887
(CHEMBL3401281)Show SMILES Cc1c(NC(=O)c2cc3ccccc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C32H29N5O4S/c1-20-24(7-5-8-25(20)35-30(38)28-18-22-6-3-4-9-27(22)42-28)26-19-36(2)32(40)29(34-26)33-23-12-10-21(11-13-23)31(39)37-14-16-41-17-15-37/h3-13,18-19H,14-17H2,1-2H3,(H,33,34)(H,35,38) | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064875
(CHEMBL3401269)Show SMILES Cc1c(NC(=O)c2ccc(cc2)C2(C)CC2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C34H35N5O4/c1-22-27(5-4-6-28(22)37-31(40)23-7-11-25(12-8-23)34(2)15-16-34)29-21-38(3)33(42)30(36-29)35-26-13-9-24(10-14-26)32(41)39-17-19-43-20-18-39/h4-14,21H,15-20H2,1-3H3,(H,35,36)(H,37,40) | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064876
(CHEMBL3401267)Show SMILES CCC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C35H39N5O4/c1-6-35(3,4)26-14-10-24(11-15-26)32(41)38-29-9-7-8-28(23(29)2)30-22-39(5)34(43)31(37-30)36-27-16-12-25(13-17-27)33(42)40-18-20-44-21-19-40/h7-17,22H,6,18-21H2,1-5H3,(H,36,37)(H,38,41) | 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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064868
(CHEMBL3401286)Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc3[nH]ccc3c2)n1 Show InChI InChI=1S/C29H27N5O2S/c1-17-21(7-5-8-22(17)33-28(35)26-15-19-6-3-4-9-25(19)37-26)24-16-34(2)29(36)27(32-24)31-20-10-11-23-18(14-20)12-13-30-23/h5,7-8,10-16,30H,3-4,6,9H2,1-2H3,(H,31,32)(H,33,35) | 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 | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064893
(CHEMBL3401274)Show SMILES Cc1c(NC(=O)c2ncc(cn2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C32H35N7O4/c1-20-24(7-6-8-25(20)37-29(40)27-33-17-22(18-34-27)32(2,3)4)26-19-38(5)31(42)28(36-26)35-23-11-9-21(10-12-23)30(41)39-13-15-43-16-14-39/h6-12,17-19H,13-16H2,1-5H3,(H,35,36)(H,37,40) | 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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064885
(CHEMBL3401283)Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2cccnc2)n1 Show InChI InChI=1S/C26H25N5O2S/c1-16-19(21-15-31(2)26(33)24(29-21)28-18-8-6-12-27-14-18)9-5-10-20(16)30-25(32)23-13-17-7-3-4-11-22(17)34-23/h5-6,8-10,12-15H,3-4,7,11H2,1-2H3,(H,28,29)(H,30,32) | 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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064864
(CHEMBL3401291)Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)-c2ncc[nH]2)n1 Show InChI InChI=1S/C30H28N6O2S/c1-18-22(7-5-8-23(18)35-29(37)26-16-20-6-3-4-9-25(20)39-26)24-17-36(2)30(38)28(34-24)33-21-12-10-19(11-13-21)27-31-14-15-32-27/h5,7-8,10-17H,3-4,6,9H2,1-2H3,(H,31,32)(H,33,34)(H,35,37) | 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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064867
(CHEMBL3401288)Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccn3ccnc3c2)n1 Show InChI InChI=1S/C28H26N6O2S/c1-17-20(7-5-8-21(17)32-27(35)24-14-18-6-3-4-9-23(18)37-24)22-16-33(2)28(36)26(31-22)30-19-10-12-34-13-11-29-25(34)15-19/h5,7-8,10-16H,3-4,6,9H2,1-2H3,(H,30,31)(H,32,35) | 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 | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064872
(CHEMBL3401272)Show SMILES Cc1c(NC(=O)c2ccc(s2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C32H35N5O4S/c1-20-23(7-6-8-24(20)35-29(38)26-13-14-27(42-26)32(2,3)4)25-19-36(5)31(40)28(34-25)33-22-11-9-21(10-12-22)30(39)37-15-17-41-18-16-37/h6-14,19H,15-18H2,1-5H3,(H,33,34)(H,35,38) | 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 | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Mus musculus) | BDBM50064866
(CHEMBL3401289)Show SMILES CN1CCC(CC1)c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1 Show InChI InChI=1S/C33H37N5O2S/c1-21-26(8-6-9-27(21)36-32(39)30-19-24-7-4-5-10-29(24)41-30)28-20-38(3)33(40)31(35-28)34-25-13-11-22(12-14-25)23-15-17-37(2)18-16-23/h6,8-9,11-14,19-20,23H,4-5,7,10,15-18H2,1-3H3,(H,34,35)(H,36,39) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ... |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Mus musculus) | 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
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ... |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064865
(CHEMBL3401290)Show SMILES CN(C)[C@@H]1CCN(C1)c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1 |r| Show InChI InChI=1S/C33H38N6O2S/c1-21-26(9-7-10-27(21)36-32(40)30-18-22-8-5-6-11-29(22)42-30)28-20-38(4)33(41)31(35-28)34-23-12-14-24(15-13-23)39-17-16-25(19-39)37(2)3/h7,9-10,12-15,18,20,25H,5-6,8,11,16-17,19H2,1-4H3,(H,34,35)(H,36,40)/t25-/m1/s1 | 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 | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064870
(CHEMBL3401276)Show SMILES Cc1c(NC(=O)c2cnc(cn2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C32H35N7O4/c1-20-23(7-6-8-24(20)37-29(40)25-17-34-27(18-33-25)32(2,3)4)26-19-38(5)31(42)28(36-26)35-22-11-9-21(10-12-22)30(41)39-13-15-43-16-14-39/h6-12,17-19H,13-16H2,1-5H3,(H,35,36)(H,37,40) | 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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Mus musculus) | BDBM50064876
(CHEMBL3401267)Show SMILES CCC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C35H39N5O4/c1-6-35(3,4)26-14-10-24(11-15-26)32(41)38-29-9-7-8-28(23(29)2)30-22-39(5)34(43)31(37-30)36-27-16-12-25(13-17-27)33(42)40-18-20-44-21-19-40/h7-17,22H,6,18-21H2,1-5H3,(H,36,37)(H,38,41) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ... |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064873
(CHEMBL3401271)Show SMILES Cc1c(NC(=O)c2ccc(cc2)[Si](C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C33H37N5O4Si/c1-22-27(7-6-8-28(22)36-31(39)23-11-15-26(16-12-23)43(3,4)5)29-21-37(2)33(41)30(35-29)34-25-13-9-24(10-14-25)32(40)38-17-19-42-20-18-38/h6-16,21H,17-20H2,1-5H3,(H,34,35)(H,36,39) | 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 | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064894
(CHEMBL3401268)Show SMILES Cc1c(NC(=O)c2ccc(cc2)C2CC2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C33H33N5O4/c1-21-27(4-3-5-28(21)36-31(39)24-10-8-23(9-11-24)22-6-7-22)29-20-37(2)33(41)30(35-29)34-26-14-12-25(13-15-26)32(40)38-16-18-42-19-17-38/h3-5,8-15,20,22H,6-7,16-19H2,1-2H3,(H,34,35)(H,36,39) | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM36521
(6-(tert-Butyl)-N-(2-methyl-3-(4-methyl-6-((4-(morp...)Show SMILES Cc1c(NC(=O)c2ccc(nc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C33H36N6O4/c1-21-25(7-6-8-26(21)37-30(40)23-11-14-28(34-19-23)33(2,3)4)27-20-38(5)32(42)29(36-27)35-24-12-9-22(10-13-24)31(41)39-15-17-43-18-16-39/h6-14,19-20H,15-18H2,1-5H3,(H,35,36)(H,37,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Tyrosine-protein kinase BTK
(Mus musculus) | BDBM36516
(4-(tert-Butyl)-N-(2-methyl-3-(4-methyl-6-((4-(morp...)Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-13-25(14-10-23)34(2,3)4)29-21-38(5)33(42)30(36-29)35-26-15-11-24(12-16-26)32(41)39-17-19-43-20-18-39/h6-16,21H,17-20H2,1-5H3,(H,35,36)(H,37,40) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ... |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064892
(CHEMBL3401278)Show SMILES Cc1c(NC(=O)c2cc3COCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C31H31N5O5S/c1-19-23(4-3-5-24(19)34-29(37)27-16-21-18-41-13-10-26(21)42-27)25-17-35(2)31(39)28(33-25)32-22-8-6-20(7-9-22)30(38)36-11-14-40-15-12-36/h3-9,16-17H,10-15,18H2,1-2H3,(H,32,33)(H,34,37) | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064874
(CHEMBL3401270)Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)O)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C33H35N5O5/c1-21-26(6-5-7-27(21)36-30(39)22-8-12-24(13-9-22)33(2,3)42)28-20-37(4)32(41)29(35-28)34-25-14-10-23(11-15-25)31(40)38-16-18-43-19-17-38/h5-15,20,42H,16-19H2,1-4H3,(H,34,35)(H,36,39) | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Mus musculus) | BDBM50064863
(CHEMBL3401292)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-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ... |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064889
(CHEMBL3401280)Show SMILES Cc1c(NC(=O)c2cc3CCCCn3c2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C32H34N6O4/c1-21-26(7-5-8-27(21)35-30(39)23-18-25-6-3-4-13-38(25)19-23)28-20-36(2)32(41)29(34-28)33-24-11-9-22(10-12-24)31(40)37-14-16-42-17-15-37/h5,7-12,18-20H,3-4,6,13-17H2,1-2H3,(H,33,34)(H,35,39) | 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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064880
(CHEMBL3401287)Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc3ocnc3c2)n1 Show InChI InChI=1S/C28H25N5O3S/c1-16-19(7-5-8-20(16)32-27(34)25-12-17-6-3-4-9-24(17)37-25)22-14-33(2)28(35)26(31-22)30-18-10-11-23-21(13-18)29-15-36-23/h5,7-8,10-15H,3-4,6,9H2,1-2H3,(H,30,31)(H,32,34) | 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 | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064897
(CHEMBL3401265)Show SMILES CCc1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C32H33N5O4/c1-4-22-8-10-23(11-9-22)30(38)35-27-7-5-6-26(21(27)2)28-20-36(3)32(40)29(34-28)33-25-14-12-24(13-15-25)31(39)37-16-18-41-19-17-37/h5-15,20H,4,16-19H2,1-3H3,(H,33,34)(H,35,38) | 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 | 225 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) after 1 hr by FRET assay |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Mus musculus) | BDBM50064869
(CHEMBL3401277)Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C32H33N5O4S/c1-20-24(7-5-8-25(20)35-30(38)28-18-22-6-3-4-9-27(22)42-28)26-19-36(2)32(40)29(34-26)33-23-12-10-21(11-13-23)31(39)37-14-16-41-17-15-37/h5,7-8,10-13,18-19H,3-4,6,9,14-17H2,1-2H3,(H,33,34)(H,35,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ... |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064886
(CHEMBL3401282)Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccccc2)n1 Show InChI InChI=1S/C27H26N4O2S/c1-17-20(22-16-31(2)27(33)25(29-22)28-19-10-4-3-5-11-19)12-8-13-21(17)30-26(32)24-15-18-9-6-7-14-23(18)34-24/h3-5,8,10-13,15-16H,6-7,9,14H2,1-2H3,(H,28,29)(H,30,32) | 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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064877
(CHEMBL3401266)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C32H34N6O4/c1-21-26(6-5-7-27(21)35-30(39)22-10-14-25(15-11-22)36(2)3)28-20-37(4)32(41)29(34-28)33-24-12-8-23(9-13-24)31(40)38-16-18-42-19-17-38/h5-15,20H,16-19H2,1-4H3,(H,33,34)(H,35,39) | 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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064871
(CHEMBL3401273)Show SMILES Cc1c(NC(=O)c2cnc(nc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C32H35N7O4/c1-20-24(7-6-8-25(20)37-28(40)22-17-33-31(34-18-22)32(2,3)4)26-19-38(5)30(42)27(36-26)35-23-11-9-21(10-12-23)29(41)39-13-15-43-16-14-39/h6-12,17-19H,13-16H2,1-5H3,(H,35,36)(H,37,40) | 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 | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064890
(CHEMBL3401279)Show SMILES Cc1c(NC(=O)c2nc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C31H32N6O4S/c1-19-22(6-5-8-23(19)34-28(38)29-35-24-7-3-4-9-26(24)42-29)25-18-36(2)31(40)27(33-25)32-21-12-10-20(11-13-21)30(39)37-14-16-41-17-15-37/h5-6,8,10-13,18H,3-4,7,9,14-17H2,1-2H3,(H,32,33)(H,34,38) | 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 | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Mus musculus) | BDBM50064877
(CHEMBL3401266)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C32H34N6O4/c1-21-26(6-5-7-27(21)35-30(39)22-10-14-25(15-11-22)36(2)3)28-20-37(4)32(41)29(34-28)33-24-12-8-23(9-13-24)31(40)38-16-18-42-19-17-38/h5-15,20H,16-19H2,1-4H3,(H,33,34)(H,35,39) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ... |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064884
(CHEMBL3401284)Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccnnc2)n1 Show InChI InChI=1S/C25H24N6O2S/c1-15-18(20-14-31(2)25(33)23(29-20)28-17-10-11-26-27-13-17)7-5-8-19(15)30-24(32)22-12-16-6-3-4-9-21(16)34-22/h5,7-8,10-14H,3-4,6,9H2,1-2H3,(H,30,32)(H,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 | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Mus musculus) | BDBM50064872
(CHEMBL3401272)Show SMILES Cc1c(NC(=O)c2ccc(s2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C32H35N5O4S/c1-20-23(7-6-8-24(20)35-29(38)26-13-14-27(42-26)32(2,3)4)25-19-36(5)31(40)28(34-25)33-22-11-9-21(10-12-22)30(39)37-15-17-41-18-16-37/h6-14,19H,15-18H2,1-5H3,(H,33,34)(H,35,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ... |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Mus musculus) | BDBM50064875
(CHEMBL3401269)Show SMILES Cc1c(NC(=O)c2ccc(cc2)C2(C)CC2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C34H35N5O4/c1-22-27(5-4-6-28(22)37-31(40)23-7-11-25(12-8-23)34(2)15-16-34)29-21-38(3)33(42)30(36-29)35-26-13-9-24(10-14-26)32(41)39-17-19-43-20-18-39/h4-14,21H,15-20H2,1-3H3,(H,35,36)(H,37,40) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ... |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064883
(CHEMBL3401285)Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccncn2)n1 Show InChI InChI=1S/C25H24N6O2S/c1-15-17(19-13-31(2)25(33)23(28-19)30-22-10-11-26-14-27-22)7-5-8-18(15)29-24(32)21-12-16-6-3-4-9-20(16)34-21/h5,7-8,10-14H,3-4,6,9H2,1-2H3,(H,29,32)(H,26,27,28,30) | 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 | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Mus musculus) | BDBM50064865
(CHEMBL3401290)Show SMILES CN(C)[C@@H]1CCN(C1)c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1 |r| Show InChI InChI=1S/C33H38N6O2S/c1-21-26(9-7-10-27(21)36-32(40)30-18-22-8-5-6-11-29(22)42-30)28-20-38(4)33(41)31(35-28)34-23-12-14-24(15-13-23)39-17-16-25(19-39)37(2)3/h7,9-10,12-15,18,20,25H,5-6,8,11,16-17,19H2,1-4H3,(H,34,35)(H,36,40)/t25-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ... |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064901
(CHEMBL3401264)Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C31H31N5O4/c1-20-7-9-22(10-8-20)29(37)34-26-6-4-5-25(21(26)2)27-19-35(3)31(39)28(33-27)32-24-13-11-23(12-14-24)30(38)36-15-17-40-18-16-36/h4-14,19H,15-18H2,1-3H3,(H,32,33)(H,34,37) | 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 | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) after 1 hr by FRET assay |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Mus musculus) | BDBM50064870
(CHEMBL3401276)Show SMILES Cc1c(NC(=O)c2cnc(cn2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C32H35N7O4/c1-20-23(7-6-8-24(20)37-29(40)25-17-34-27(18-33-25)32(2,3)4)26-19-38(5)31(42)28(36-26)35-22-11-9-21(10-12-22)30(41)39-13-15-43-16-14-39/h6-12,17-19H,13-16H2,1-5H3,(H,35,36)(H,37,40) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ... |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Mus musculus) | BDBM50064873
(CHEMBL3401271)Show SMILES Cc1c(NC(=O)c2ccc(cc2)[Si](C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C33H37N5O4Si/c1-22-27(7-6-8-28(22)36-31(39)23-11-15-26(16-12-23)43(3,4)5)29-21-37(2)33(41)30(35-29)34-25-13-9-24(10-14-25)32(40)38-17-19-42-20-18-38/h6-16,21H,17-20H2,1-5H3,(H,34,35)(H,36,39) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ... |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Mus musculus) | BDBM50064868
(CHEMBL3401286)Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc3[nH]ccc3c2)n1 Show InChI InChI=1S/C29H27N5O2S/c1-17-21(7-5-8-22(17)33-28(35)26-15-19-6-3-4-9-25(19)37-26)24-16-34(2)29(36)27(32-24)31-20-10-11-23-18(14-20)12-13-30-23/h5,7-8,10-16,30H,3-4,6,9H2,1-2H3,(H,31,32)(H,33,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ... |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Mus musculus) | BDBM50064892
(CHEMBL3401278)Show SMILES Cc1c(NC(=O)c2cc3COCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C31H31N5O5S/c1-19-23(4-3-5-24(19)34-29(37)27-16-21-18-41-13-10-26(21)42-27)25-17-35(2)31(39)28(33-25)32-22-8-6-20(7-9-22)30(38)36-11-14-40-15-12-36/h3-9,16-17H,10-15,18H2,1-2H3,(H,32,33)(H,34,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ... |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Mus musculus) | BDBM50064867
(CHEMBL3401288)Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccn3ccnc3c2)n1 Show InChI InChI=1S/C28H26N6O2S/c1-17-20(7-5-8-21(17)32-27(35)24-14-18-6-3-4-9-23(18)37-24)22-16-33(2)28(36)26(31-22)30-19-10-12-34-13-11-29-25(34)15-19/h5,7-8,10-16H,3-4,6,9H2,1-2H3,(H,30,31)(H,32,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ... |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Mus musculus) | BDBM50064874
(CHEMBL3401270)Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)O)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C33H35N5O5/c1-21-26(6-5-7-27(21)36-30(39)22-8-12-24(13-9-22)33(2,3)42)28-20-37(4)32(41)29(35-28)34-25-14-10-23(11-15-25)31(40)38-16-18-43-19-17-38/h5-15,20,42H,16-19H2,1-4H3,(H,34,35)(H,36,39) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ... |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Mus musculus) | BDBM36521
(6-(tert-Butyl)-N-(2-methyl-3-(4-methyl-6-((4-(morp...)Show SMILES Cc1c(NC(=O)c2ccc(nc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C33H36N6O4/c1-21-25(7-6-8-26(21)37-30(40)23-11-14-28(34-19-23)33(2,3)4)27-20-38(5)32(42)29(36-27)35-24-12-9-22(10-13-24)31(41)39-15-17-43-18-16-39/h6-14,19-20H,15-18H2,1-5H3,(H,35,36)(H,37,40) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ... |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Mus musculus) | BDBM50064871
(CHEMBL3401273)Show SMILES Cc1c(NC(=O)c2cnc(nc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C32H35N7O4/c1-20-24(7-6-8-25(20)37-28(40)22-17-33-31(34-18-22)32(2,3)4)26-19-38(5)30(42)27(36-26)35-23-11-9-21(10-12-23)29(41)39-13-15-43-16-14-39/h6-12,17-19H,13-16H2,1-5H3,(H,35,36)(H,37,40) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ... |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064862
(CHEMBL3401263)Show SMILES Cc1c(NC(=O)c2ccccc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C30H29N5O4/c1-20-24(9-6-10-25(20)33-28(36)21-7-4-3-5-8-21)26-19-34(2)30(38)27(32-26)31-23-13-11-22(12-14-23)29(37)35-15-17-39-18-16-35/h3-14,19H,15-18H2,1-2H3,(H,31,32)(H,33,36) | 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 | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) after 1 hr by FRET assay |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Mus musculus) | BDBM50064885
(CHEMBL3401283)Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2cccnc2)n1 Show InChI InChI=1S/C26H25N5O2S/c1-16-19(21-15-31(2)26(33)24(29-21)28-18-8-6-12-27-14-18)9-5-10-20(16)30-25(32)23-13-17-7-3-4-11-22(17)34-23/h5-6,8-10,12-15H,3-4,7,11H2,1-2H3,(H,28,29)(H,30,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ... |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Mus musculus) | BDBM50064864
(CHEMBL3401291)Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)-c2ncc[nH]2)n1 Show InChI InChI=1S/C30H28N6O2S/c1-18-22(7-5-8-23(18)35-29(37)26-16-20-6-3-4-9-25(20)39-26)24-17-36(2)30(38)28(34-24)33-21-12-10-19(11-13-21)27-31-14-15-32-27/h5,7-8,10-17H,3-4,6,9H2,1-2H3,(H,31,32)(H,33,34)(H,35,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ... |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
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 | n/a | n/a | 350 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK in human whole blood basophils assessed as inhibition of both anti-IgE-stimulated CD63 expression |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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 | n/a | n/a | 380 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK in human whole blood B-cells assessed as inhibition of both anti-IgD-stimulated CD69 expression |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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