Found 31 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)) | 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 |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50111752
(CHEMBL3605107)Show SMILES CNC(=O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C26H38N4O8/c1-26(2,3)15-6-4-14(5-7-15)12-28-13-19(38-24-22(34)21(33)18(11-27)37-24)17-10-16(31)23(36-17)30-9-8-20(32)29-25(30)35/h4-9,16-19,21-24,28,31,33-34H,10-13,27H2,1-3H3,(H,29,32,35)/t16-,17+,18-,19+,21-,22-,23-,24+/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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50111685
(CHEMBL3605102)Show SMILES Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C23H18N4OS/c1-27-13-16(11-26-27)19-12-25-23(24)21-20(14-29-22(19)21)15-7-9-18(10-8-15)28-17-5-3-2-4-6-17/h2-14H,1H3,(H2,24,25) | 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 | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50111755
(CHEMBL3605111)Show SMILES CNC(=O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(cc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C28H32N4O9/c29-13-20-23(35)24(36)27(40-20)41-21(19-12-18(33)26(39-19)32-11-10-22(34)31-28(32)38)14-30-25(37)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,18-21,23-24,26-27,33,35-36H,12-14,29H2,(H,30,37)(H,31,34,38)/t18-,19+,20-,21+,23-,24-,26-,27+/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 | 137 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50111762
(CHEMBL3605103)Show SMILES CCn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H34N4O10/c1-34-14-4-3-12(7-15(14)35-2)10-26-11-18(38-23-21(32)20(31)17(9-25)37-23)16-8-13(29)22(36-16)28-6-5-19(30)27-24(28)33/h3-7,13,16-18,20-23,26,29,31-32H,8-11,25H2,1-2H3,(H,27,30,33)/t13-,16+,17-,18+,20-,21-,22-,23+/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 | 176 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50111759
(CHEMBL3605106)Show SMILES COCCCn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C26H24N4O2S/c1-31-13-5-12-30-16-19(14-29-30)22-15-28-26(27)24-23(17-33-25(22)24)18-8-10-21(11-9-18)32-20-6-3-2-4-7-20/h2-4,6-11,14-17H,5,12-13H2,1H3,(H2,27,28) | 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 | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50111752
(CHEMBL3605107)Show SMILES CNC(=O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C26H38N4O8/c1-26(2,3)15-6-4-14(5-7-15)12-28-13-19(38-24-22(34)21(33)18(11-27)37-24)17-10-16(31)23(36-17)30-9-8-20(32)29-25(30)35/h4-9,16-19,21-24,28,31,33-34H,10-13,27H2,1-3H3,(H,29,32,35)/t16-,17+,18-,19+,21-,22-,23-,24+/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 | 284 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) using poly (Glu-Tyr, 4:1) substrate incubated for 60 mins by ELISA method |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50111756
(CHEMBL3605110)Show SMILES CNC(=O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1cccc(c1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C22H28N4O9/c23-9-14-17(29)18(30)21(34-14)35-15(10-24-19(31)11-4-2-1-3-5-11)13-8-12(27)20(33-13)26-7-6-16(28)25-22(26)32/h1-7,12-15,17-18,20-21,27,29-30H,8-10,23H2,(H,24,31)(H,25,28,32)/t12-,13+,14-,15+,17-,18-,20-,21+/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 | 292 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50111685
(CHEMBL3605102)Show SMILES Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C23H18N4OS/c1-27-13-16(11-26-27)19-12-25-23(24)21-20(14-29-22(19)21)15-7-9-18(10-8-15)28-17-5-3-2-4-6-17/h2-14H,1H3,(H2,24,25) | 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 | 343 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) using poly (Glu-Tyr, 4:1) substrate incubated for 60 mins by ELISA method |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50111761
(CHEMBL3605104)Show SMILES CCCCn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H33N5O8/c26-10-18-21(33)22(34)24(37-18)38-19(12-27-7-5-13-11-28-15-4-2-1-3-14(13)15)17-9-16(31)23(36-17)30-8-6-20(32)29-25(30)35/h1-4,6,8,11,16-19,21-24,27-28,31,33-34H,5,7,9-10,12,26H2,(H,29,32,35)/t16-,17+,18-,19+,21-,22-,23-,24+/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 | 387 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50111753
(CHEMBL3605113)Show SMILES CNC(=O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C28H50N4O8/c1-3-4-5-6-7-8-9-10-11-12-14-31(2)18-22(40-27-25(36)24(35)21(17-29)39-27)20-16-19(33)26(38-20)32-15-13-23(34)30-28(32)37/h13,15,19-22,24-27,33,35-36H,3-12,14,16-18,29H2,1-2H3,(H,30,34,37)/t19-,20+,21-,22+,24-,25-,26-,27+/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 | 409 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50111754
(CHEMBL3605112)Show SMILES Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C24H32N4O10/c1-35-22(33)13-4-2-12(3-5-13)10-26-11-17(38-23-20(32)19(31)16(9-25)37-23)15-8-14(29)21(36-15)28-7-6-18(30)27-24(28)34/h2-7,14-17,19-21,23,26,29,31-32H,8-11,25H2,1H3,(H,27,30,34)/t14-,15+,16-,17+,19-,20-,21-,23+/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 | 421 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50111757
(CHEMBL3605109)Show SMILES CC(=O)n1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H29N5O8/c22-8-14-17(29)18(30)20(33-14)34-15(10-24-9-11-1-4-23-5-2-11)13-7-12(27)19(32-13)26-6-3-16(28)25-21(26)31/h1-6,12-15,17-20,24,27,29-30H,7-10,22H2,(H,25,28,31)/t12-,13+,14-,15+,17-,18-,19-,20+/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 | 454 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50111758
(CHEMBL3605108)Show SMILES CN(C)S(=O)(=O)n1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C23H30N4O10/c24-8-15-18(30)19(31)22(36-15)37-16(10-25-9-11-1-3-12(4-2-11)21(32)33)14-7-13(28)20(35-14)27-6-5-17(29)26-23(27)34/h1-6,13-16,18-20,22,25,28,30-31H,7-10,24H2,(H,32,33)(H,26,29,34)/t13-,14+,15-,16+,18-,19-,20-,22+/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 | 528 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50111760
(CHEMBL3605105)Show SMILES Nc1ncc(-c2cnn(Cc3ccccc3)c2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C22H34N4O10/c1-33-20(31)11-2-5-25(6-3-11)10-15(36-21-18(30)17(29)14(9-23)35-21)13-8-12(27)19(34-13)26-7-4-16(28)24-22(26)32/h4,7,11-15,17-19,21,27,29-30H,2-3,5-6,8-10,23H2,1H3,(H,24,28,32)/t12-,13+,14-,15+,17-,18-,19-,21+/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 | 699 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50111689
(CHEMBL3605094)Show SMILES Nc1ncc(-c2ccco2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C23H16N2O2S/c24-23-21-19(14-28-22(21)18(13-25-23)20-7-4-12-26-20)15-8-10-17(11-9-15)27-16-5-2-1-3-6-16/h1-14H,(H2,24,25) | 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 | 768 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50111686
(CHEMBL3605101)Show SMILES Nc1ncc(-c2cn[nH]c2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C22H16N4OS/c23-22-20-19(13-28-21(20)18(12-24-22)15-10-25-26-11-15)14-6-8-17(9-7-14)27-16-4-2-1-3-5-16/h1-13H,(H2,23,24)(H,25,26) | 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 | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50111750
(CHEMBL3605097)Show SMILES Nc1ncc(-c2ccncc2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C23H32N4O8/c24-11-16-19(30)20(31)22(34-16)35-17(12-25-8-6-13-4-2-1-3-5-13)15-10-14(28)21(33-15)27-9-7-18(29)26-23(27)32/h1-5,7,9,14-17,19-22,25,28,30-31H,6,8,10-12,24H2,(H,26,29,32)/t14-,15+,16-,17+,19-,20-,21-,22+/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 | 1.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50111749
(CHEMBL3605098)Show SMILES Nc1ncc(-c2ccc(cc2)N2CCOCC2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C23H29F3N4O8S/c24-23(25,26)39-12-3-1-11(2-4-12)9-28-10-16(38-21-19(34)18(33)15(8-27)37-21)14-7-13(31)20(36-14)30-6-5-17(32)29-22(30)35/h1-6,13-16,18-21,28,31,33-34H,7-10,27H2,(H,29,32,35)/t13-,14+,15-,16+,18-,19-,20-,21+/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 | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50111747
(CHEMBL3605093)Show SMILES COc1ccc2cc(ccc2c1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H34N4O8/c1-13-2-4-14(5-3-13)6-8-26-12-18(36-23-21(32)20(31)17(11-25)35-23)16-10-15(29)22(34-16)28-9-7-19(30)27-24(28)33/h2-5,7,9,15-18,20-23,26,29,31-32H,6,8,10-12,25H2,1H3,(H,27,30,33)/t15-,16+,17-,18+,20-,21-,22-,23+/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50111752
(CHEMBL3605107)Show SMILES CNC(=O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C26H38N4O8/c1-26(2,3)15-6-4-14(5-7-15)12-28-13-19(38-24-22(34)21(33)18(11-27)37-24)17-10-16(31)23(36-17)30-9-8-20(32)29-25(30)35/h4-9,16-19,21-24,28,31,33-34H,10-13,27H2,1-3H3,(H,29,32,35)/t16-,17+,18-,19+,21-,22-,23-,24+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of c-MET (unknown origin) using poly (Glu-Tyr, 4:1) substrate incubated for 60 mins by ELISA method |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50111751
(CHEMBL3605096)Show SMILES Nc1ncc(-c2ccccc2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C29H36N4O9/c30-15-22-25(36)26(37)28(41-22)42-23(21-14-20(34)27(40-21)33-13-11-24(35)32-29(33)38)16-31-12-10-17-6-8-19(9-7-17)39-18-4-2-1-3-5-18/h1-9,11,13,20-23,25-28,31,34,36-37H,10,12,14-16,30H2,(H,32,35,38)/t20-,21+,22-,23+,25-,26-,27-,28+/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50111748
(CHEMBL3605099)Show SMILES Nc1ncc(-c2ccc(Oc3ccccc3)cc2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C24H32N4O10/c25-8-17-20(31)21(32)23(37-17)38-18(10-26-9-12-11-34-14-3-1-2-4-15(14)35-12)16-7-13(29)22(36-16)28-6-5-19(30)27-24(28)33/h1-6,12-13,16-18,20-23,26,29,31-32H,7-11,25H2,(H,27,30,33)/t12?,13-,16+,17-,18+,20-,21-,22-,23+/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50111685
(CHEMBL3605102)Show SMILES Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C23H18N4OS/c1-27-13-16(11-26-27)19-12-25-23(24)21-20(14-29-22(19)21)15-7-9-18(10-8-15)28-17-5-3-2-4-6-17/h2-14H,1H3,(H2,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 (unknown origin) using poly (Glu-Tyr, 4:1) substrate incubated for 60 mins by ELISA method |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50111685
(CHEMBL3605102)Show SMILES Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C23H18N4OS/c1-27-13-16(11-26-27)19-12-25-23(24)21-20(14-29-22(19)21)15-7-9-18(10-8-15)28-17-5-3-2-4-6-17/h2-14H,1H3,(H2,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of c-MET (unknown origin) using poly (Glu-Tyr, 4:1) substrate incubated for 60 mins by ELISA method |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50111752
(CHEMBL3605107)Show SMILES CNC(=O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C26H38N4O8/c1-26(2,3)15-6-4-14(5-7-15)12-28-13-19(38-24-22(34)21(33)18(11-27)37-24)17-10-16(31)23(36-17)30-9-8-20(32)29-25(30)35/h4-9,16-19,21-24,28,31,33-34H,10-13,27H2,1-3H3,(H,29,32,35)/t16-,17+,18-,19+,21-,22-,23-,24+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 (unknown origin) using poly (Glu-Tyr, 4:1) substrate incubated for 60 mins by ELISA method |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50111687
(CHEMBL3605100)Show InChI InChI=1S/C23H22N2OS/c1-2-3-7-17-14-25-23(24)21-20(15-27-22(17)21)16-10-12-19(13-11-16)26-18-8-5-4-6-9-18/h4-6,8-15H,2-3,7H2,1H3,(H2,24,25) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50111685
(CHEMBL3605102)Show SMILES Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C23H18N4OS/c1-27-13-16(11-26-27)19-12-25-23(24)21-20(14-29-22(19)21)15-7-9-18(10-8-15)28-17-5-3-2-4-6-17/h2-14H,1H3,(H2,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 (unknown origin) using poly (Glu-Tyr, 4:1) substrate incubated for 60 mins by ELISA method |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50111752
(CHEMBL3605107)Show SMILES CNC(=O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C26H38N4O8/c1-26(2,3)15-6-4-14(5-7-15)12-28-13-19(38-24-22(34)21(33)18(11-27)37-24)17-10-16(31)23(36-17)30-9-8-20(32)29-25(30)35/h4-9,16-19,21-24,28,31,33-34H,10-13,27H2,1-3H3,(H,29,32,35)/t16-,17+,18-,19+,21-,22-,23-,24+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 (unknown origin) using poly (Glu-Tyr, 4:1) substrate incubated for 60 mins by ELISA method |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50111688
(CHEMBL3605095)Show SMILES Nc1ncc(C2CC2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C22H18N2OS/c23-22-20-19(13-26-21(20)18(12-24-22)14-6-7-14)15-8-10-17(11-9-15)25-16-4-2-1-3-5-16/h1-5,8-14H,6-7H2,(H2,23,24) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay |
Bioorg Med Chem 23: 6059-68 (2015)
Article DOI: 10.1016/j.bmc.2015.05.043
BindingDB Entry DOI: 10.7270/Q2445P7J |
More data for this
Ligand-Target Pair | |
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