Found 185 hits Enz. Inhib. hit(s) with all data for entry = 50033950 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 |
|---|
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354414
(CHEMBL1836842)Show SMILES CC1(C)CNCCN1C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)cc1Cl Show InChI InChI=1S/C25H27ClN8O/c1-25(2)14-27-7-8-34(25)24(35)18-6-5-17(9-19(18)26)31-22-23-28-12-21(16-10-29-30-11-16)33(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,27H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354412
(CHEMBL1836806)Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNC(=O)C3)c(Cl)c2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C21H19ClN8O2/c1-12-10-30-17(13-7-25-26-8-13)9-24-20(30)19(27-12)28-14-2-3-15(16(22)6-14)21(32)29-5-4-23-18(31)11-29/h2-3,6-10H,4-5,11H2,1H3,(H,23,31)(H,25,26)(H,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354432
(CHEMBL1836844)Show SMILES CC1(C)CN(CCN1)C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)cc1Cl Show InChI InChI=1S/C25H27ClN8O/c1-25(2)14-33(8-7-28-25)24(35)18-6-5-17(9-19(18)26)31-22-23-27-12-21(16-10-29-30-11-16)34(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,28H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354415
(CHEMBL1836854)Show SMILES Fc1cc(ccc1Nc1nc(cn2c(cnc12)-c1cn[nH]c1)C1CC1)C(=O)N1CCNCC1 Show InChI InChI=1S/C23H23FN8O/c24-17-9-15(23(33)31-7-5-25-6-8-31)3-4-18(17)29-21-22-26-12-20(16-10-27-28-11-16)32(22)13-19(30-21)14-1-2-14/h3-4,9-14,25H,1-2,5-8H2,(H,27,28)(H,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354416
(CHEMBL1836863)Show SMILES CC1(C)CNCCN1C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)c(F)c1 Show InChI InChI=1S/C25H27FN8O/c1-25(2)14-27-7-8-34(25)24(35)16-5-6-19(18(26)9-16)31-22-23-28-12-21(17-10-29-30-11-17)33(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,27H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM13216
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
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MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of LCK |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354414
(CHEMBL1836842)Show SMILES CC1(C)CNCCN1C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)cc1Cl Show InChI InChI=1S/C25H27ClN8O/c1-25(2)14-27-7-8-34(25)24(35)18-6-5-17(9-19(18)26)31-22-23-28-12-21(16-10-29-30-11-16)33(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,27H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of phosphorylated SAM68 in 293 WT-PTK6 cells after 3 hrs |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354429
(CHEMBL1836846)Show SMILES Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1C[C@H]2CC[C@@H]1CN2 |r| Show InChI InChI=1S/C25H25ClN8O/c26-20-7-16(4-6-19(20)25(35)33-12-17-3-5-18(33)10-27-17)31-23-24-28-11-22(15-8-29-30-9-15)34(24)13-21(32-23)14-1-2-14/h4,6-9,11,13-14,17-18,27H,1-3,5,10,12H2,(H,29,30)(H,31,32)/t17-,18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354420
(CHEMBL1836755)Show SMILES Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1CCNCC1 Show InChI InChI=1S/C23H23ClN8O/c24-18-9-16(3-4-17(18)23(33)31-7-5-25-6-8-31)29-21-22-26-12-20(15-10-27-28-11-15)32(22)13-19(30-21)14-1-2-14/h3-4,9-14,25H,1-2,5-8H2,(H,27,28)(H,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354455
(CHEMBL1836865)Show SMILES CC1(C)CN(CCN1)C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)c(F)c1 Show InChI InChI=1S/C25H27FN8O/c1-25(2)14-33(8-7-28-25)24(35)16-5-6-19(18(26)9-16)31-22-23-27-12-21(17-10-29-30-11-17)34(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,28H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354455
(CHEMBL1836865)Show SMILES CC1(C)CN(CCN1)C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)c(F)c1 Show InChI InChI=1S/C25H27FN8O/c1-25(2)14-33(8-7-28-25)24(35)16-5-6-19(18(26)9-16)31-22-23-27-12-21(17-10-29-30-11-17)34(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,28H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of phosphorylated SAM68 in 293 WT-PTK6 cells after 3 hrs |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354415
(CHEMBL1836854)Show SMILES Fc1cc(ccc1Nc1nc(cn2c(cnc12)-c1cn[nH]c1)C1CC1)C(=O)N1CCNCC1 Show InChI InChI=1S/C23H23FN8O/c24-17-9-15(23(33)31-7-5-25-6-8-31)3-4-18(17)29-21-22-26-12-20(16-10-27-28-11-16)32(22)13-19(30-21)14-1-2-14/h3-4,9-14,25H,1-2,5-8H2,(H,27,28)(H,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of phosphorylated SAM68 in 293 WT-PTK6 cells after 3 hrs |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354416
(CHEMBL1836863)Show SMILES CC1(C)CNCCN1C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)c(F)c1 Show InChI InChI=1S/C25H27FN8O/c1-25(2)14-27-7-8-34(25)24(35)16-5-6-19(18(26)9-16)31-22-23-28-12-21(17-10-29-30-11-17)33(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,27H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of phosphorylated SAM68 in 293 WT-PTK6 cells after 3 hrs |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354424
(CHEMBL1836802)Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(c2)C(F)(F)F)n1)-c1cn[nH]c1 Show InChI InChI=1S/C22H21F3N8O/c1-13-12-33-18(14-9-28-29-10-14)11-27-20(33)19(30-13)31-15-2-3-16(17(8-15)22(23,24)25)21(34)32-6-4-26-5-7-32/h2-3,8-12,26H,4-7H2,1H3,(H,28,29)(H,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354431
(CHEMBL1836840)Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3C[C@H]4CC[C@@H]3CN4)c(Cl)c2)n1)-c1cn[nH]c1 |r| Show InChI InChI=1S/C23H23ClN8O/c1-13-11-32-20(14-7-27-28-8-14)10-26-22(32)21(29-13)30-15-3-5-18(19(24)6-15)23(33)31-12-16-2-4-17(31)9-25-16/h3,5-8,10-11,16-17,25H,2,4,9,12H2,1H3,(H,27,28)(H,29,30)/t16-,17-/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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354408
(CHEMBL1836867)Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C21H21ClN8O/c1-13-12-30-18(14-9-25-26-10-14)11-24-20(30)19(27-13)28-15-2-3-16(17(22)8-15)21(31)29-6-4-23-5-7-29/h2-3,8-12,23H,4-7H2,1H3,(H,25,26)(H,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354409
(CHEMBL1836805)Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)cc1Cl Show InChI InChI=1S/C22H23ClN8O/c1-14-13-31-19(15-10-25-26-11-15)12-24-21(31)20(27-14)28-16-3-4-17(18(23)9-16)22(32)30-7-5-29(2)6-8-30/h3-4,9-13H,5-8H2,1-2H3,(H,25,26)(H,27,28) | PDB
MMDB
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354445
(CHEMBL1836810)Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C21H20ClN7O2/c1-13-12-29-18(14-9-24-25-10-14)11-23-20(29)19(26-13)27-15-2-3-16(17(22)8-15)21(30)28-4-6-31-7-5-28/h2-3,8-12H,4-7H2,1H3,(H,24,25)(H,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM13216
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) | PDB
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| PDB
Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354430
(CHEMBL1836862)Show SMILES Cc1cn2c(cnc2c(Nc2ccc(cc2F)C(=O)N2CCNCC2(C)C)n1)-c1cn[nH]c1 Show InChI InChI=1S/C23H25FN8O/c1-14-12-31-19(16-9-27-28-10-16)11-26-21(31)20(29-14)30-18-5-4-15(8-17(18)24)22(33)32-7-6-25-13-23(32,2)3/h4-5,8-12,25H,6-7,13H2,1-3H3,(H,27,28)(H,29,30) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354425
(CHEMBL1836754)Show SMILES CCc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C22H23ClN8O/c1-2-15-13-31-19(14-10-26-27-11-14)12-25-21(31)20(28-15)29-16-3-4-17(18(23)9-16)22(32)30-7-5-24-6-8-30/h3-4,9-13,24H,2,5-8H2,1H3,(H,26,27)(H,28,29) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354456
(CHEMBL1836760)Show SMILES CCOc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sc1C(=O)N1CCCC(C)C1 Show InChI InChI=1S/C23H27N7O2S/c1-4-32-18-8-19(33-20(18)23(31)29-7-5-6-14(2)12-29)28-21-22-24-11-17(16-9-25-26-10-16)30(22)13-15(3)27-21/h8-11,13-14H,4-7,12H2,1-3H3,(H,25,26)(H,27,28) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354458
(CHEMBL1836799)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(O)CC3)cs2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C20H23N7OS/c1-13-10-27-17(15-7-22-23-8-15)9-21-20(27)19(24-13)25-18-6-14(12-29-18)11-26-4-2-16(28)3-5-26/h6-10,12,16,28H,2-5,11H2,1H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354422
(CHEMBL1836815)Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3(C)C)c(Cl)c2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C23H25ClN8O/c1-14-12-31-19(15-9-27-28-10-15)11-26-21(31)20(29-14)30-16-4-5-17(18(24)8-16)22(33)32-7-6-25-13-23(32,2)3/h4-5,8-12,25H,6-7,13H2,1-3H3,(H,27,28)(H,29,30) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354417
(CHEMBL1836843)Show SMILES Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1CCNCC11CC1 Show InChI InChI=1S/C25H25ClN8O/c26-19-9-17(3-4-18(19)24(35)34-8-7-27-14-25(34)5-6-25)31-22-23-28-12-21(16-10-29-30-11-16)33(23)13-20(32-22)15-1-2-15/h3-4,9-13,15,27H,1-2,5-8,14H2,(H,29,30)(H,31,32) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354418
(CHEMBL1836847)Show SMILES Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1C[C@@H]2CC[C@H](C1)N2 |r| Show InChI InChI=1S/C25H25ClN8O/c26-20-7-16(5-6-19(20)25(35)33-11-17-3-4-18(12-33)30-17)31-23-24-27-10-22(15-8-28-29-9-15)34(24)13-21(32-23)14-1-2-14/h5-10,13-14,17-18,30H,1-4,11-12H2,(H,28,29)(H,31,32)/t17-,18+ | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354434
(CHEMBL1836853)Show SMILES Cc1cn2c(cnc2c(Nc2ccc(cc2F)C(=O)N2CCNCC2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C21H21FN8O/c1-13-12-30-18(15-9-25-26-10-15)11-24-20(30)19(27-13)28-17-3-2-14(8-16(17)22)21(31)29-6-4-23-5-7-29/h2-3,8-12,23H,4-7H2,1H3,(H,25,26)(H,27,28) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354426
(CHEMBL1836864)Show SMILES Cc1cn2c(cnc2c(Nc2ccc(cc2F)C(=O)N2CCNC(C)(C)C2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C23H25FN8O/c1-14-12-32-19(16-9-27-28-10-16)11-25-21(32)20(29-14)30-18-5-4-15(8-17(18)24)22(33)31-7-6-26-23(2,3)13-31/h4-5,8-12,26H,6-7,13H2,1-3H3,(H,27,28)(H,29,30) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50354441
(CHEMBL1836813)Show SMILES COC1CCN(CC1)C(=O)c1ccc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)cc1Cl Show InChI InChI=1S/C23H24ClN7O2/c1-14-13-31-20(15-10-26-27-11-15)12-25-22(31)21(28-14)29-16-3-4-18(19(24)9-16)23(32)30-7-5-17(33-2)6-8-30/h3-4,9-13,17H,5-8H2,1-2H3,(H,26,27)(H,28,29) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of LCK |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354437
(CHEMBL1836796)Show SMILES Cc1cn2c(cnc2c(Nc2ccnc(c2)N2CCNCC2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C19H21N9/c1-13-12-28-16(14-9-23-24-10-14)11-22-19(28)18(25-13)26-15-2-3-21-17(8-15)27-6-4-20-5-7-27/h2-3,8-12,20H,4-7H2,1H3,(H,23,24)(H,21,25,26) | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354457
(CHEMBL1836841)Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3C[C@@H]4CC[C@H](C3)N4)c(Cl)c2)n1)-c1cn[nH]c1 |r| Show InChI InChI=1S/C23H23ClN8O/c1-13-10-32-20(14-7-26-27-8-14)9-25-22(32)21(28-13)30-15-4-5-18(19(24)6-15)23(33)31-11-16-2-3-17(12-31)29-16/h4-10,16-17,29H,2-3,11-12H2,1H3,(H,26,27)(H,28,30)/t16-,17+ | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354459
(CHEMBL1836761)Show SMILES CN(C)C(=O)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 Show InChI InChI=1S/C16H16N8OS/c1-9-8-24-12(10-5-18-19-6-10)7-17-15(24)14(20-9)21-13-4-11(22-26-13)16(25)23(2)3/h4-8H,1-3H3,(H,18,19)(H,20,21) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50354458
(CHEMBL1836799)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCC(O)CC3)cs2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C20H23N7OS/c1-13-10-27-17(15-7-22-23-8-15)9-21-20(27)19(24-13)25-18-6-14(12-29-18)11-26-4-2-16(28)3-5-26/h6-10,12,16,28H,2-5,11H2,1H3,(H,22,23)(H,24,25) | PDB
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| n/a | n/a | <13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of AurB |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50354456
(CHEMBL1836760)Show SMILES CCOc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sc1C(=O)N1CCCC(C)C1 Show InChI InChI=1S/C23H27N7O2S/c1-4-32-18-8-19(33-20(18)23(31)29-7-5-6-14(2)12-29)28-21-22-24-11-17(16-9-25-26-10-16)30(22)13-15(3)27-21/h8-11,13-14H,4-7,12H2,1-3H3,(H,25,26)(H,27,28) | PDB
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| Article
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| n/a | n/a | <13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of AurB |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50335179
(6-Methyl-N-[3-(1-piperidinylmethyl)-5-isothiazolyl...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C19H22N8S/c1-13-11-27-16(14-8-21-22-9-14)10-20-19(27)18(23-13)24-17-7-15(25-28-17)12-26-5-3-2-4-6-26/h7-11H,2-6,12H2,1H3,(H,21,22)(H,23,24) | PDB
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| n/a | n/a | <13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of AurB |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50335179
(6-Methyl-N-[3-(1-piperidinylmethyl)-5-isothiazolyl...)Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C19H22N8S/c1-13-11-27-16(14-8-21-22-9-14)10-20-19(27)18(23-13)24-17-7-15(25-28-17)12-26-5-3-2-4-6-26/h7-11H,2-6,12H2,1H3,(H,21,22)(H,23,24) | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354423
(CHEMBL1836845)Show SMILES Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1CCNC2(CC2)C1 Show InChI InChI=1S/C25H25ClN8O/c26-19-9-17(3-4-18(19)24(35)33-8-7-28-25(14-33)5-6-25)31-22-23-27-12-21(16-10-29-30-11-16)34(23)13-20(32-22)15-1-2-15/h3-4,9-13,15,28H,1-2,5-8,14H2,(H,29,30)(H,31,32) | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354417
(CHEMBL1836843)Show SMILES Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1CCNCC11CC1 Show InChI InChI=1S/C25H25ClN8O/c26-19-9-17(3-4-18(19)24(35)34-8-7-27-14-25(34)5-6-25)31-22-23-28-12-21(16-10-29-30-11-16)33(23)13-20(32-22)15-1-2-15/h3-4,9-13,15,27H,1-2,5-8,14H2,(H,29,30)(H,31,32) | PDB
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PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of phosphorylated SAM68 in 293 WT-PTK6 cells after 3 hrs |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354443
(CHEMBL1836800)Show SMILES Cc1cn2c(cnc2c(Nc2ccc(cc2)C(=O)N2CCNCC2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C21H22N8O/c1-14-13-29-18(16-10-24-25-11-16)12-23-20(29)19(26-14)27-17-4-2-15(3-5-17)21(30)28-8-6-22-7-9-28/h2-5,10-13,22H,6-9H2,1H3,(H,24,25)(H,26,27) | PDB
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PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354413
(CHEMBL1836807)Show SMILES CC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)cc1Cl Show InChI InChI=1S/C23H23ClN8O2/c1-14-13-32-20(16-10-26-27-11-16)12-25-22(32)21(28-14)29-17-3-4-18(19(24)9-17)23(34)31-7-5-30(6-8-31)15(2)33/h3-4,9-13H,5-8H2,1-2H3,(H,26,27)(H,28,29) | PDB
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PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354428
(CHEMBL1836837)Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC33CC3)c(Cl)c2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C23H23ClN8O/c1-14-12-31-19(15-9-27-28-10-15)11-26-21(31)20(29-14)30-16-2-3-17(18(24)8-16)22(33)32-7-6-25-13-23(32)4-5-23/h2-3,8-12,25H,4-7,13H2,1H3,(H,27,28)(H,29,30) | PDB
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UniChem
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PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354418
(CHEMBL1836847)Show SMILES Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1C[C@@H]2CC[C@H](C1)N2 |r| Show InChI InChI=1S/C25H25ClN8O/c26-20-7-16(5-6-19(20)25(35)33-11-17-3-4-18(12-33)30-17)31-23-24-27-10-22(15-8-28-29-9-15)34(24)13-21(32-23)14-1-2-14/h5-10,13-14,17-18,30H,1-4,11-12H2,(H,28,29)(H,31,32)/t17-,18+ | PDB
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PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of phosphorylated SAM68 in 293 WT-PTK6 cells after 3 hrs |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354419
(CHEMBL1836838)Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNC(C)(C)C3)c(Cl)c2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C23H25ClN8O/c1-14-12-32-19(15-9-27-28-10-15)11-25-21(32)20(29-14)30-16-4-5-17(18(24)8-16)22(33)31-7-6-26-23(2,3)13-31/h4-5,8-12,26H,6-7,13H2,1-3H3,(H,27,28)(H,29,30) | PDB
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UniChem
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PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354419
(CHEMBL1836838)Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNC(C)(C)C3)c(Cl)c2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C23H25ClN8O/c1-14-12-32-19(15-9-27-28-10-15)11-25-21(32)20(29-14)30-16-4-5-17(18(24)8-16)22(33)31-7-6-26-23(2,3)13-31/h4-5,8-12,26H,6-7,13H2,1-3H3,(H,27,28)(H,29,30) | PDB
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UniChem
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PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of phosphorylated SAM68 in 293 WT-PTK6 cells after 3 hrs |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354435
(CHEMBL1836839)Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNC4(CC4)C3)c(Cl)c2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C23H23ClN8O/c1-14-12-32-19(15-9-27-28-10-15)11-25-21(32)20(29-14)30-16-2-3-17(18(24)8-16)22(33)31-7-6-26-23(13-31)4-5-23/h2-3,8-12,26H,4-7,13H2,1H3,(H,27,28)(H,29,30) | PDB
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PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354420
(CHEMBL1836755)Show SMILES Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1CCNCC1 Show InChI InChI=1S/C23H23ClN8O/c24-18-9-16(3-4-17(18)23(33)31-7-5-25-6-8-31)29-21-22-26-12-20(15-10-27-28-11-15)32(22)13-19(30-21)14-1-2-14/h3-4,9-14,25H,1-2,5-8H2,(H,27,28)(H,29,30) | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of phosphorylated SAM68 in 293 WT-PTK6 cells after 3 hrs |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354421
(CHEMBL1836803)Show SMILES COc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)ccc1C(=O)N1CCNCC1 Show InChI InChI=1S/C22H24N8O2/c1-14-13-30-18(15-10-25-26-11-15)12-24-21(30)20(27-14)28-16-3-4-17(19(9-16)32-2)22(31)29-7-5-23-6-8-29/h3-4,9-13,23H,5-8H2,1-2H3,(H,25,26)(H,27,28) | PDB
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PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of phosphorylated SAM68 in 293 WT-PTK6 cells after 3 hrs |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354422
(CHEMBL1836815)Show SMILES Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3(C)C)c(Cl)c2)n1)-c1cn[nH]c1 Show InChI InChI=1S/C23H25ClN8O/c1-14-12-31-19(15-9-27-28-10-15)11-26-21(31)20(29-14)30-16-4-5-17(18(24)8-16)22(33)32-7-6-25-13-23(32,2)3/h4-5,8-12,25H,6-7,13H2,1-3H3,(H,27,28)(H,29,30) | PDB
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PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of phosphorylated SAM68 in 293 WT-PTK6 cells after 3 hrs |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354421
(CHEMBL1836803)Show SMILES COc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)ccc1C(=O)N1CCNCC1 Show InChI InChI=1S/C22H24N8O2/c1-14-13-30-18(15-10-25-26-11-15)12-24-21(30)20(27-14)28-16-3-4-17(19(9-16)32-2)22(31)29-7-5-23-6-8-29/h3-4,9-13,23H,5-8H2,1-2H3,(H,25,26)(H,27,28) | PDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
Protein-tyrosine kinase 6
(Homo sapiens (Human)) | BDBM50354433
(CHEMBL1836861)Show SMILES Fc1cc(ccc1Nc1nc(cn2c(cnc12)-c1cn[nH]c1)C1CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C23H22FN7O2/c24-17-9-15(23(32)30-5-7-33-8-6-30)3-4-18(17)28-21-22-25-12-20(16-10-26-27-11-16)31(22)13-19(29-21)14-1-2-14/h3-4,9-14H,1-2,5-8H2,(H,26,27)(H,28,29) | PDB
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CHEMBL
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PC cid
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| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BRK pretreated for 30 mins by microplate reader |
Bioorg Med Chem Lett 21: 5870-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.101
BindingDB Entry DOI: 10.7270/Q2PR7WCR |
More data for this
Ligand-Target Pair | |
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