Found 320 hits with Last Name = 'hatcher' and Initial = 'jm' 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 |
|---|
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM50510284
(CHEMBL4461333 | US10711036, Compound 101)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C25H37FN6O5/c1-16(2)21(31-25(36)37-15-17-8-4-3-5-9-17)23(35)32-13-7-11-19(32)22(34)30-18(20(33)14-26)10-6-12-29-24(27)28/h3-5,8-9,16,18-19,21H,6-7,10-15H2,1-2H3,(H,30,34)(H,31,36)(H4,27,28,29)/t18-,19-,21-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LZ-fused MALT1 (340 to 789 residues) (unknown origin) using Ac-LRSR-AMC as substrate by fluorescence assay |
Bioorg Med Chem Lett 29: 1336-1339 (2019)
Article DOI: 10.1016/j.bmcl.2019.03.046
BindingDB Entry DOI: 10.7270/Q2WW7N1M |
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM50510285
(CHEMBL4517467)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C31H48FN7O6/c1-19(2)16-23(37-31(44)45-18-21-10-6-5-7-11-21)27(41)38-26(20(3)4)29(43)39-15-9-13-24(39)28(42)36-22(25(40)17-32)12-8-14-35-30(33)34/h5-7,10-11,19-20,22-24,26H,8-9,12-18H2,1-4H3,(H,36,42)(H,37,44)(H,38,41)(H4,33,34,35)/t22-,23-,24-,26-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LZ-fused MALT1 (340 to 789 residues) (unknown origin) using Ac-LRSR-AMC as substrate by fluorescence assay |
Bioorg Med Chem Lett 29: 1336-1339 (2019)
Article DOI: 10.1016/j.bmcl.2019.03.046
BindingDB Entry DOI: 10.7270/Q2WW7N1M |
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM50510283
(CHEMBL4459733)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C31H49FN10O6/c1-19(2)25(41-31(47)48-18-20-9-4-3-5-10-20)27(45)40-22(12-7-15-38-30(35)36)28(46)42-16-8-13-23(42)26(44)39-21(24(43)17-32)11-6-14-37-29(33)34/h3-5,9-10,19,21-23,25H,6-8,11-18H2,1-2H3,(H,39,44)(H,40,45)(H,41,47)(H4,33,34,37)(H4,35,36,38)/t21-,22-,23-,25-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LZ-fused MALT1 (340 to 789 residues) (unknown origin) using Ac-LRSR-AMC as substrate by fluorescence assay |
Bioorg Med Chem Lett 29: 1336-1339 (2019)
Article DOI: 10.1016/j.bmcl.2019.03.046
BindingDB Entry DOI: 10.7270/Q2WW7N1M |
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM50510281
(CHEMBL4565072 | US10711036, Compound 205)Show SMILES CN[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C18H33FN6O3/c1-11(2)15(22-3)17(28)25-9-5-7-13(25)16(27)24-12(14(26)10-19)6-4-8-23-18(20)21/h11-13,15,22H,4-10H2,1-3H3,(H,24,27)(H4,20,21,23)/t12-,13-,15-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LZ-fused MALT1 (340 to 789 residues) (unknown origin) using Ac-LRSR-AMC as substrate by fluorescence assay |
Bioorg Med Chem Lett 29: 1336-1339 (2019)
Article DOI: 10.1016/j.bmcl.2019.03.046
BindingDB Entry DOI: 10.7270/Q2WW7N1M |
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM50510280
(CHEMBL4444966 | US10711036, Compound 112)Show SMILES CC(C)[C@H](N(C)C(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C26H39FN6O5/c1-17(2)22(32(3)26(37)38-16-18-9-5-4-6-10-18)24(36)33-14-8-12-20(33)23(35)31-19(21(34)15-27)11-7-13-30-25(28)29/h4-6,9-10,17,19-20,22H,7-8,11-16H2,1-3H3,(H,31,35)(H4,28,29,30)/t19-,20-,22-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LZ-fused MALT1 (340 to 789 residues) (unknown origin) using Ac-LRSR-AMC as substrate by fluorescence assay |
Bioorg Med Chem Lett 29: 1336-1339 (2019)
Article DOI: 10.1016/j.bmcl.2019.03.046
BindingDB Entry DOI: 10.7270/Q2WW7N1M |
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM50510279
(CHEMBL4575136)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)CF |r| Show InChI InChI=1S/C26H39FN6O5/c1-17(2)22(31-26(37)38-16-18-9-5-4-6-10-18)24(36)33-14-8-12-20(33)23(35)32(3)19(21(34)15-27)11-7-13-30-25(28)29/h4-6,9-10,17,19-20,22H,7-8,11-16H2,1-3H3,(H,31,37)(H4,28,29,30)/t19-,20-,22-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LZ-fused MALT1 (340 to 789 residues) (unknown origin) using Ac-LRSR-AMC as substrate by fluorescence assay |
Bioorg Med Chem Lett 29: 1336-1339 (2019)
Article DOI: 10.1016/j.bmcl.2019.03.046
BindingDB Entry DOI: 10.7270/Q2WW7N1M |
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM50510282
(CHEMBL4564313)Show SMILES CCC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C32H51N7O6/c1-6-26(40)23(14-10-16-35-31(33)34)36-29(42)25-15-11-17-39(25)30(43)27(21(4)5)38-28(41)24(18-20(2)3)37-32(44)45-19-22-12-8-7-9-13-22/h7-9,12-13,20-21,23-25,27H,6,10-11,14-19H2,1-5H3,(H,36,42)(H,37,44)(H,38,41)(H4,33,34,35)/t23-,24-,25-,27-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of recombinant LZ-fused MALT1 (340 to 789 residues) (unknown origin) using Ac-LRSR-AMC as substrate by fluorescence assay |
Bioorg Med Chem Lett 29: 1336-1339 (2019)
Article DOI: 10.1016/j.bmcl.2019.03.046
BindingDB Entry DOI: 10.7270/Q2WW7N1M |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM86632
(JNK-IN-7)Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of wild-type human partial length JNK3 (V28 to Q422 residues) expressed in mammalian expression system by Kinomescan method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00378
BindingDB Entry DOI: 10.7270/Q2N01B75 |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50573483
(CHEMBL4877883)Show SMILES Cn1ncc2cc(ccc12)-c1cnc2[nH]nc(Cl)c2c1N1CCC2(CCNC2=O)CC1 | PDB
UniProtKB/SwissProt
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of tracer 236 binding to recombinant human His-tagged full length CDK8/Cyclin C expressed in baculovirus expression system by Lanthascreen... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00300
BindingDB Entry DOI: 10.7270/Q29W0K80 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM86632
(JNK-IN-7)Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of wild-type human full length JNK1 (M1 to Q384 residues) expressed in mammalian expression system by Kinomescan method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00378
BindingDB Entry DOI: 10.7270/Q2N01B75 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50573483
(CHEMBL4877883)Show SMILES Cn1ncc2cc(ccc12)-c1cnc2[nH]nc(Cl)c2c1N1CCC2(CCNC2=O)CC1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human CDK8 in human Jurkat cells assessed as inhibition of STAT1 phosphorylation at S727 residue measured after 24 hrs by Western blot ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00300
BindingDB Entry DOI: 10.7270/Q29W0K80 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Echinoderm microtubule-associated protein-like 4
(Homo sapiens (Human)) | BDBM50362781
(1256580-46-7 | AF802 | Alecensa | Alectinib | CH54...)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
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CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Inhibition of wild type EML4-ALK (unknown origin) expressed in mouse Ba/F3 cells assessed as cell viability after 72 hrs by MTS assay |
J Med Chem 58: 9296-9308 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01136
BindingDB Entry DOI: 10.7270/Q2BC42J1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-C/Cyclin-dependent kinase 19
(Homo sapiens (Human)) | BDBM50573487
(CHEMBL4850566)Show SMILES Cn1ncc2cc(ccc12)-c1cnc2[nH]ccc2c1N1CCC2(CC1)NC(=O)NC2=O | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of tracer 236 binding to recombinant human GST/His-tagged CDK11 (1 to 502 residues)/Cyclin C( 1 to 283 residues) expressed in insect cells... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00300
BindingDB Entry DOI: 10.7270/Q29W0K80 |
More data for this
Ligand-Target Pair | |
Cyclin-C/Cyclin-dependent kinase 19
(Homo sapiens (Human)) | BDBM50573483
(CHEMBL4877883)Show SMILES Cn1ncc2cc(ccc12)-c1cnc2[nH]nc(Cl)c2c1N1CCC2(CCNC2=O)CC1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of tracer 236 binding to recombinant human GST/His-tagged CDK11 (1 to 502 residues)/Cyclin C( 1 to 283 residues) expressed in insect cells... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00300
BindingDB Entry DOI: 10.7270/Q29W0K80 |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50573482
(CHEMBL4858092)Show SMILES Cn1ncc2cc(ccc12)-c1cnc2[nH]cc(Cl)c2c1N1CCC2(CCNC2=O)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of tracer 236 binding to recombinant human His-tagged full length CDK8/Cyclin C expressed in baculovirus expression system by Lanthascreen... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00300
BindingDB Entry DOI: 10.7270/Q29W0K80 |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50573471
(CHEMBL4856360)Show SMILES Cn1ncc2cc(ccc12)-c1cnc2[nH]ccc2c1N1CCC2(CCNC2=O)CC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of tracer 236 binding to recombinant human His-tagged full length CDK8/Cyclin C expressed in baculovirus expression system by Lanthascreen... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00300
BindingDB Entry DOI: 10.7270/Q29W0K80 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM86632
(JNK-IN-7)Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of wild-type human full length JNK2 (M1 to Q382 residues) expressed in mammalian expression system by Kinomescan method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00378
BindingDB Entry DOI: 10.7270/Q2N01B75 |
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM50546091
(CHEMBL4784740)Show SMILES Clc1ccc2ncc(NC(=O)Nc3cnc(c(Cl)c3)-n3nccn3)c(C3CC3)c2c1 | PDB
UniProtKB/SwissProt
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AffyNet
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MALT1 (unknown origin) by Glosensor reporter gene assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.05.040
BindingDB Entry DOI: 10.7270/Q25B063F |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50500350
(CHEMBL3746678)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CCCN(C)C)c1 Show InChI InChI=1S/C29H31N5O/c1-6-19-13-23-24(14-22(19)20-16-31-34(17-20)11-7-10-33(4)5)29(2,3)28-26(27(23)35)21-9-8-18(15-30)12-25(21)32-28/h8-9,12-14,16-17,32H,6-7,10-11H2,1-5H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Inhibition of RET (unknown origin) |
J Med Chem 58: 9296-9308 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01136
BindingDB Entry DOI: 10.7270/Q2BC42J1 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Echinoderm microtubule-associated protein-like 4
(Homo sapiens (Human)) | BDBM50500357
(CHEMBL3746522 | US11066363, Compound 31)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CCN(C)C)c1 Show InChI InChI=1S/C28H29N5O/c1-6-18-12-22-23(13-21(18)19-15-30-33(16-19)10-9-32(4)5)28(2,3)27-25(26(22)34)20-8-7-17(14-29)11-24(20)31-27/h7-8,11-13,15-16,31H,6,9-10H2,1-5H3 | PDB
UniProtKB/SwissProt
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Inhibition of wild type EML4-ALK (unknown origin) expressed in mouse Ba/F3 cells assessed as cell viability after 72 hrs by MTS assay |
J Med Chem 58: 9296-9308 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01136
BindingDB Entry DOI: 10.7270/Q2BC42J1 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Echinoderm microtubule-associated protein-like 4
(Homo sapiens (Human)) | BDBM50500352
(CHEMBL3746665 | US11066363, Compound 17)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N(C)C Show InChI InChI=1S/C28H32N4O/c1-6-18-14-21-22(15-24(18)32-11-9-19(10-12-32)31(4)5)28(2,3)27-25(26(21)33)20-8-7-17(16-29)13-23(20)30-27/h7-8,13-15,19,30H,6,9-12H2,1-5H3 | PDB
UniProtKB/SwissProt
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UniChem
| Article
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Inhibition of wild type EML4-ALK (unknown origin) expressed in mouse Ba/F3 cells assessed as cell viability after 72 hrs by MTS assay |
J Med Chem 58: 9296-9308 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01136
BindingDB Entry DOI: 10.7270/Q2BC42J1 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Echinoderm microtubule-associated protein-like 4
(Homo sapiens (Human)) | BDBM50500351
(CHEMBL3746960 | US11066363, Compound 19)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(C)CC1 Show InChI InChI=1S/C26H28N4O/c1-5-17-13-19-20(14-22(17)30-10-8-29(4)9-11-30)26(2,3)25-23(24(19)31)18-7-6-16(15-27)12-21(18)28-25/h6-7,12-14,28H,5,8-11H2,1-4H3 | PDB
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Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Inhibition of wild type EML4-ALK (unknown origin) expressed in mouse Ba/F3 cells assessed as cell viability after 72 hrs by MTS assay |
J Med Chem 58: 9296-9308 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01136
BindingDB Entry DOI: 10.7270/Q2BC42J1 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Echinoderm microtubule-associated protein-like 4
(Homo sapiens (Human)) | BDBM50499105
(CHEMBL3735401)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CC(=O)N(C)C)c1 Show InChI InChI=1S/C28H27N5O2/c1-6-17-10-21-22(11-20(17)18-13-30-33(14-18)15-24(34)32(4)5)28(2,3)27-25(26(21)35)19-8-7-16(12-29)9-23(19)31-27/h7-11,13-14,31H,6,15H2,1-5H3 | PDB
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Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Inhibition of wild type EML4-ALK (unknown origin) expressed in mouse Ba/F3 cells assessed as cell viability after 72 hrs by MTS assay |
J Med Chem 58: 9296-9308 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01136
BindingDB Entry DOI: 10.7270/Q2BC42J1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50177715
(CHEMBL3815054)Show SMILES CN(C)CCCn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)-c3cn[nH]c3)-c2c1 Show InChI InChI=1S/C26H24N6O/c1-31(2)8-3-9-32-15-19(14-29-32)16-4-6-20-22(10-16)25-24(26(20)33)21-7-5-17(11-23(21)30-25)18-12-27-28-13-18/h4-7,10-15,30H,3,8-9H2,1-2H3,(H,27,28) | PDB
NCI pathway
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| CHEMBL
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| Article
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 ITD mutant in human MOLM13 cells assessed as reduction in cell viability a after 3 days by cell titer glo assay |
ACS Med Chem Lett 7: 476-81 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00498
BindingDB Entry DOI: 10.7270/Q2HD7XJD |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50300690
(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36) | PDB
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| Article
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Competitive inhibition of FLT3 ITD mutant (unknown origin) in presence of ATP |
ACS Med Chem Lett 7: 476-81 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00498
BindingDB Entry DOI: 10.7270/Q2HD7XJD |
More data for this
Ligand-Target Pair | |
Cyclin-C/Cyclin-dependent kinase 19
(Homo sapiens (Human)) | BDBM50573488
(CHEMBL4849842)Show SMILES Cn1ncc2cc(ccc12)-c1cnc2[nH]ccc2c1N1CCC2(CCCNC2=O)CC1 | PDB
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TBA
| Assay Description
Inhibition of tracer 236 binding to recombinant human GST/His-tagged CDK11 (1 to 502 residues)/Cyclin C( 1 to 283 residues) expressed in insect cells... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00300
BindingDB Entry DOI: 10.7270/Q29W0K80 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50499105
(CHEMBL3735401)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CC(=O)N(C)C)c1 Show InChI InChI=1S/C28H27N5O2/c1-6-17-10-21-22(11-20(17)18-13-30-33(14-18)15-24(34)32(4)5)28(2,3)27-25(26(21)35)19-8-7-16(12-29)9-23(19)31-27/h7-11,13-14,31H,6,15H2,1-5H3 | PDB
MMDB
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| Article
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Inhibition of RET (unknown origin) |
J Med Chem 58: 9296-9308 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01136
BindingDB Entry DOI: 10.7270/Q2BC42J1 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50585046
(CHEMBL5086263)Show SMILES CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2 | PDB
MMDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of DYRK1A (unknown origin) at 1 uM by kinomescan method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00630
BindingDB Entry DOI: 10.7270/Q2183BDB |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50585046
(CHEMBL5086263)Show SMILES CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2 | PDB
MMDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of DYRK1A (unknown origin) measured after 6 hrs in presence of ATP by Z'-LYTE assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00630
BindingDB Entry DOI: 10.7270/Q2183BDB |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM185149
(1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...)Show SMILES CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1 Show InChI InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3 | PDB
NCI pathway
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| Article
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Competitive inhibition of FLT3 ITD mutant (unknown origin) in presence of ATP |
ACS Med Chem Lett 7: 476-81 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00498
BindingDB Entry DOI: 10.7270/Q2HD7XJD |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50573487
(CHEMBL4850566)Show SMILES Cn1ncc2cc(ccc12)-c1cnc2[nH]ccc2c1N1CCC2(CC1)NC(=O)NC2=O | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of tracer 236 binding to recombinant human His-tagged full length CDK8/Cyclin C expressed in baculovirus expression system by Lanthascreen... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00300
BindingDB Entry DOI: 10.7270/Q29W0K80 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50191357
(CHEMBL3903492)Show SMILES Cc1n[nH]c2ncc(cc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H17ClN4O/c1-11-15-9-13(10-20-17(15)22-21-11)18(24)23-8-2-3-16(23)12-4-6-14(19)7-5-12/h4-7,9-10,16H,2-3,8H2,1H3,(H,20,21,22)/t16-/m0/s1 | PDB
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| PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human CDK8 in human Jurkat cells assessed as inhibition of STAT1 phosphorylation at S727 residue measured after 24 hrs by Western blot ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00300
BindingDB Entry DOI: 10.7270/Q29W0K80 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-C
(Homo sapiens (Human)) | BDBM50573488
(CHEMBL4849842)Show SMILES Cn1ncc2cc(ccc12)-c1cnc2[nH]ccc2c1N1CCC2(CCCNC2=O)CC1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of tracer 236 binding to recombinant human His-tagged full length CDK8/Cyclin C expressed in baculovirus expression system by Lanthascreen... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00300
BindingDB Entry DOI: 10.7270/Q29W0K80 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50177715
(CHEMBL3815054)Show SMILES CN(C)CCCn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)-c3cn[nH]c3)-c2c1 Show InChI InChI=1S/C26H24N6O/c1-31(2)8-3-9-32-15-19(14-29-32)16-4-6-20-22(10-16)25-24(26(20)33)21-7-5-17(11-23(21)30-25)18-12-27-28-13-18/h4-7,10-15,30H,3,8-9H2,1-2H3,(H,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Competitive inhibition of FLT3 D835Y mutant (unknown origin) in presence of ATP |
ACS Med Chem Lett 7: 476-81 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00498
BindingDB Entry DOI: 10.7270/Q2HD7XJD |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM185149
(1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol...)Show SMILES CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1 Show InChI InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
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| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Competitive inhibition of FLT3 D835Y mutant (unknown origin) in presence of ATP |
ACS Med Chem Lett 7: 476-81 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00498
BindingDB Entry DOI: 10.7270/Q2HD7XJD |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK4
(Homo sapiens (Human)) | BDBM50500350
(CHEMBL3746678)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CCCN(C)C)c1 Show InChI InChI=1S/C29H31N5O/c1-6-19-13-23-24(14-22(19)20-16-31-34(17-20)11-7-10-33(4)5)29(2,3)28-26(27(23)35)21-9-8-18(15-30)12-25(21)32-28/h8-9,12-14,16-17,32H,6-7,10-11H2,1-5H3 | PDB
MMDB
KEGG
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antibodypedia
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Inhibition of CLK4 (unknown origin) |
J Med Chem 58: 9296-9308 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01136
BindingDB Entry DOI: 10.7270/Q2BC42J1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50177715
(CHEMBL3815054)Show SMILES CN(C)CCCn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)-c3cn[nH]c3)-c2c1 Show InChI InChI=1S/C26H24N6O/c1-31(2)8-3-9-32-15-19(14-29-32)16-4-6-20-22(10-16)25-24(26(20)33)21-7-5-17(11-23(21)30-25)18-12-27-28-13-18/h4-7,10-15,30H,3,8-9H2,1-2H3,(H,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 D835Y mutant (unknown origin) transduced in mouse Ba/F3 cells assessed as reduction in cell viability after 3 days by cell titer g... |
ACS Med Chem Lett 7: 476-81 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00498
BindingDB Entry DOI: 10.7270/Q2HD7XJD |
More data for this
Ligand-Target Pair | |
Cyclin-C/Cyclin-dependent kinase 19
(Homo sapiens (Human)) | BDBM50573473
(CHEMBL4851074)Show SMILES Cn1ncc2cc(ccc12)-c1cnc2[nH]cnc2c1N1CCC2(CCNC2=O)CC1 | PDB
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| PC cid
PC sid
UniChem
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of tracer 236 binding to recombinant human GST/His-tagged CDK11 (1 to 502 residues)/Cyclin C( 1 to 283 residues) expressed in insect cells... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00300
BindingDB Entry DOI: 10.7270/Q29W0K80 |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50573480
(CHEMBL4869328)Show SMILES O=C1NCCC11CCN(CC1)c1c(cnc2[nH]ccc12)-c1ccc2[nH]cnc2c1 | PDB
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| PC cid
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of tracer 236 binding to recombinant human His-tagged full length CDK8/Cyclin C expressed in baculovirus expression system by Lanthascreen... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00300
BindingDB Entry DOI: 10.7270/Q29W0K80 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Echinoderm microtubule-associated protein-like 4
(Homo sapiens (Human)) | BDBM50062357
(AP26113 | CHEMBL3397300)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N(C)C Show InChI InChI=1S/C26H34ClN6O2P/c1-32(2)18-12-14-33(15-13-18)19-10-11-21(23(16-19)35-3)30-26-28-17-20(27)25(31-26)29-22-8-6-7-9-24(22)36(4,5)34/h6-11,16-18H,12-15H2,1-5H3,(H2,28,29,30,31) | PDB
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Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Inhibition of wild type EML4-ALK (unknown origin) expressed in mouse Ba/F3 cells assessed as cell viability after 72 hrs by MTS assay |
J Med Chem 58: 9296-9308 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01136
BindingDB Entry DOI: 10.7270/Q2BC42J1 |
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Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50585046
(CHEMBL5086263)Show SMILES CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2 | PDB
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TBA
| Assay Description
Inhibition of DYRK1B (unknown origin) measured after 6 hrs in presence of ATP by Z'-LYTE assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00630
BindingDB Entry DOI: 10.7270/Q2183BDB |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50585046
(CHEMBL5086263)Show SMILES CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2 | PDB
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TBA
| Assay Description
Inhibition of DYRK1B (unknown origin) at 1 uM by kinomescan method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00630
BindingDB Entry DOI: 10.7270/Q2183BDB |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50177716
(CHEMBL3813873 | US11679110, Compound Pexidartinib ...)Show SMILES FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1 Show InChI InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29) | PDB
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Harvard Medical School
Curated by ChEMBL
| Assay Description
Competitive inhibition of FLT3 D835Y mutant (unknown origin) in presence of ATP |
ACS Med Chem Lett 7: 476-81 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00498
BindingDB Entry DOI: 10.7270/Q2HD7XJD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50163795
(CHEMBL3798382)Show SMILES Cn1ncc2cc(ccc12)-c1cnc(N)c(Cl)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C21H23ClN6O/c1-27-16-3-2-13(10-14(16)11-26-27)15-12-25-19(23)17(22)18(15)28-8-5-21(6-9-28)4-7-24-20(21)29/h2-3,10-12H,4-9H2,1H3,(H2,23,25)(H,24,29) | PDB
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TBA
| Assay Description
Inhibition of human CDK8 in human Jurkat cells assessed as inhibition of STAT1 phosphorylation at S727 residue measured after 24 hrs by Western blot ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00300
BindingDB Entry DOI: 10.7270/Q29W0K80 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50177779
(CHEMBL3814908)Show SMILES CN(C)CCCn1cc(cn1)-c1ccc-2c(c1)C(=O)c1c-2[nH]c2cc(ccc12)-c1cn[nH]c1 Show InChI InChI=1S/C26H24N6O/c1-31(2)8-3-9-32-15-19(14-29-32)16-4-6-20-22(10-16)26(33)24-21-7-5-17(18-12-27-28-13-18)11-23(21)30-25(20)24/h4-7,10-15,30H,3,8-9H2,1-2H3,(H,27,28) | PDB
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Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 D835Y mutant (unknown origin) transduced in mouse Ba/F3 cells assessed as reduction in cell viability after 3 days by cell titer g... |
ACS Med Chem Lett 7: 476-81 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00498
BindingDB Entry DOI: 10.7270/Q2HD7XJD |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Echinoderm microtubule-associated protein-like 4
(Homo sapiens (Human)) | BDBM50500354
(CHEMBL3747267)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(c1)C(C)(C)C(=O)N(C)C Show InChI InChI=1S/C30H31N5O2/c1-8-18-12-22-23(13-21(18)19-15-32-35(16-19)30(4,5)28(37)34(6)7)29(2,3)27-25(26(22)36)20-10-9-17(14-31)11-24(20)33-27/h9-13,15-16,33H,8H2,1-7H3 | PDB
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Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Inhibition of wild type EML4-ALK (unknown origin) expressed in mouse Ba/F3 cells assessed as cell viability after 72 hrs by MTS assay |
J Med Chem 58: 9296-9308 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01136
BindingDB Entry DOI: 10.7270/Q2BC42J1 |
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM355886
((S)-1-(5-chloro-6- (2H-1,2,3-triazol-2- yl)pyridin...)Show SMILES CO[C@@H](C)c1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2cc(Cl)nn12 |r| Show InChI InChI=1S/C17H15Cl2N9O2/c1-9(30-2)15-12(8-20-14-6-13(19)26-27(14)15)25-17(29)24-10-5-11(18)16(21-7-10)28-22-3-4-23-28/h3-9H,1-2H3,(H2,24,25,29)/t9-/m0/s1 | PDB
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TBA
| Assay Description
Inhibition of MALT1 (unknown origin) by Glosensor reporter gene assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.05.040
BindingDB Entry DOI: 10.7270/Q25B063F |
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM50546093
(CHEMBL4741853)Show SMILES Fc1ccc2ncc(NC(=O)Nc3cnc(c(Cl)c3)-n3nccn3)c(C3CC3)c2c1 | PDB
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TBA
| Assay Description
Inhibition of MALT1 (unknown origin) by Glosensor reporter gene assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.05.040
BindingDB Entry DOI: 10.7270/Q25B063F |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50573475
(CHEMBL4872393)Show SMILES O=C1NCCC11CCN(CC1)c1c(cnc2[nH]ccc12)-c1ccc2scnc2c1 | PDB
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TBA
| Assay Description
Inhibition of tracer 236 binding to recombinant human His-tagged full length CDK8/Cyclin C expressed in baculovirus expression system by Lanthascreen... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00300
BindingDB Entry DOI: 10.7270/Q29W0K80 |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50573489
(CHEMBL4878356)Show SMILES Cn1ncc2cc(ccc12)-c1cnc2[nH]ccc2c1N1CCC2(CNC2=O)CC1 | PDB
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TBA
| Assay Description
Inhibition of tracer 236 binding to recombinant human His-tagged full length CDK8/Cyclin C expressed in baculovirus expression system by Lanthascreen... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00300
BindingDB Entry DOI: 10.7270/Q29W0K80 |
More data for this
Ligand-Target Pair | |
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