Found 4530 hits with Last Name = 'vasbinder' and Initial = 'mm' 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 |
|---|
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588255
(CHEMBL5170195)Show SMILES COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249
BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM167534
(US9073922, 18 | US9796708, Example 18)Show InChI InChI=1S/C19H20FN3O/c1-24-18-10-13(20)2-3-15(18)14-6-9-22-19-16(14)11-17(23-19)12-4-7-21-8-5-12/h2-3,6,9-12,21H,4-5,7-8H2,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249
BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588261
(CHEMBL5170524)Show SMILES COc1cc(ccc1-c1ccnc2[nH]c(cc12)C1CCNCC1)C(=O)N1CCCC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249
BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588262
(CHEMBL5197170)Show SMILES CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCCC2)CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249
BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588263
(CHEMBL5198038)Show SMILES CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249
BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588264
(CHEMBL5207871)Show SMILES CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCC2)CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249
BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50243148
(1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(thiophen-2-y...)Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1cccs1 |r| Show InChI InChI=1S/C15H18N4O2S2/c16-15(21)19-14-10(7-12(23-14)11-4-2-6-22-11)13(20)18-9-3-1-5-17-8-9/h2,4,6-7,9,17H,1,3,5,8H2,(H,18,20)(H3,16,19,21)/t9-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 4242-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588272
(CHEMBL5180640)Show SMILES COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCN(CCO)CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249
BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588266
(CHEMBL5181709)Show SMILES CC(C)n1c(C)nc2ccc(cc12)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249
BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588290
(CHEMBL5191725)Show SMILES CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCNCC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249
BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM454570
(US10717746, Example 51)Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCC(C)(C)Cc23)c(F)cn1 |r| Show InChI InChI=1S/C23H30FN5O2/c1-14(30)27-16-6-4-5-15(9-16)22(31)28-21-10-17(19(24)13-25-21)18-12-26-29-8-7-23(2,3)11-20(18)29/h10,12-13,15-16H,4-9,11H2,1-3H3,(H,27,30)(H,25,28,31)/t15-,16+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length human N-terminal GST-fused CDK9 (1 to 372 residues)/His-tagged CyclinT1 (1 to 726 residues) expressed in baculo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01754
BindingDB Entry DOI: 10.7270/Q2M90D8V |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM454567
(US10717746, Example 48)Show SMILES CC(=O)N[C@@H]1CC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r| Show InChI InChI=1S/C21H26ClN5O2/c1-12(28)25-14-5-4-13(6-14)20(29)26-19-7-15(17(22)10-23-19)16-9-24-27-11-21(2,3)8-18(16)27/h7,9-10,13-14H,4-6,8,11H2,1-3H3,(H,25,28)(H,23,26,29)/t13-,14+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length human N-terminal GST-fused CDK9 (1 to 372 residues)/His-tagged CyclinT1 (1 to 726 residues) expressed in baculo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01754
BindingDB Entry DOI: 10.7270/Q2M90D8V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50243624
((R)-1-(3-(azepan-3-ylcarbamoyl)-5-phenylthiophen-2...)Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@@H]1CCCCNC1)-c1ccccc1 |r| Show InChI InChI=1S/C18H22N4O2S/c19-18(24)22-17-14(10-15(25-17)12-6-2-1-3-7-12)16(23)21-13-8-4-5-9-20-11-13/h1-3,6-7,10,13,20H,4-5,8-9,11H2,(H,21,23)(H3,19,22,24)/t13-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 4242-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9 |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588263
(CHEMBL5198038)Show SMILES CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249
BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588261
(CHEMBL5170524)Show SMILES COc1cc(ccc1-c1ccnc2[nH]c(cc12)C1CCNCC1)C(=O)N1CCCC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249
BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588273
(CHEMBL5192311)Show SMILES COc1cc(ccc1-c1ccnc2[nH]c(cc12)C1CCN(CCO)CC1)C(=O)N1CCCC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249
BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588285
(CHEMBL5179773)Show SMILES CC(C)n1cc(cnc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249
BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50527916
(CHEMBL4446962)Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NCc3ccc(C)nc3C)cccc12 Show InChI InChI=1S/C26H28N8O/c1-15-11-29-26(31-22-14-34(4)33-25(22)35-5)32-23(15)20-13-28-24-19(20)7-6-8-21(24)27-12-18-10-9-16(2)30-17(18)3/h6-11,13-14,27-28H,12H2,1-5H3,(H,29,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH... |
J Med Chem 63: 4517-4527 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01392
BindingDB Entry DOI: 10.7270/Q21V5JDF |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50528817
(CHEMBL4462530 | US10717746, Example 14 | US2023041...)Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r| Show InChI InChI=1S/C22H28ClN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length human N-terminal GST-fused CDK9 (1 to 372 residues)/His-tagged CyclinT1 (1 to 726 residues) expressed in baculo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01754
BindingDB Entry DOI: 10.7270/Q2M90D8V |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM454542
(US10717746, Example 25 | US10717746, Example 84)Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(F)cn1 |r| Show InChI InChI=1S/C22H28FN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length human N-terminal GST-fused CDK9 (1 to 372 residues)/His-tagged CyclinT1 (1 to 726 residues) expressed in baculo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01754
BindingDB Entry DOI: 10.7270/Q2M90D8V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50243151
((S)-1-(3-(piperidin-3-ylcarbamoyl)-5-(pyridin-4-yl...)Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccncc1 |r| Show InChI InChI=1S/C16H19N5O2S/c17-16(23)21-15-12(14(22)20-11-2-1-5-19-9-11)8-13(24-15)10-3-6-18-7-4-10/h3-4,6-8,11,19H,1-2,5,9H2,(H,20,22)(H3,17,21,23)/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| 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 |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 4242-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50135125
(CHEMBL3747305)Show SMILES COc1ccc(cc1OC)-c1nc2c(NCC3CCNCC3)c(Cl)cnc2[nH]1 Show InChI InChI=1S/C20H24ClN5O2/c1-27-15-4-3-13(9-16(15)28-2)19-25-18-17(14(21)11-24-20(18)26-19)23-10-12-5-7-22-8-6-12/h3-4,9,11-12,22H,5-8,10H2,1-2H3,(H2,23,24,25,26) | 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 | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-fused human recombinant JAK1 (866 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH2 as subs... |
Bioorg Med Chem Lett 26: 60-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.031
BindingDB Entry DOI: 10.7270/Q2Z60QWQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50389803
(AZD7762 | CHEMBL2041933)Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 (unknown origin) |
J Med Chem 61: 1061-1073 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01490
BindingDB Entry DOI: 10.7270/Q2PC34T5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50243047
(1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(3-carbamoylp...)Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1cccc(c1)C(N)=O |r| Show InChI InChI=1S/C18H21N5O3S/c19-15(24)11-4-1-3-10(7-11)14-8-13(17(27-14)23-18(20)26)16(25)22-12-5-2-6-21-9-12/h1,3-4,7-8,12,21H,2,5-6,9H2,(H2,19,24)(H,22,25)(H3,20,23,26)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 4242-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50243201
((S)-1-(5-(4-carbamoylphenyl)-3-(piperidin-3-ylcarb...)Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccc(cc1)C(N)=O |r| Show InChI InChI=1S/C18H21N5O3S/c19-15(24)11-5-3-10(4-6-11)14-8-13(17(27-14)23-18(20)26)16(25)22-12-2-1-7-21-9-12/h3-6,8,12,21H,1-2,7,9H2,(H2,19,24)(H,22,25)(H3,20,23,26)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 4242-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM167534
(US9073922, 18 | US9796708, Example 18)Show InChI InChI=1S/C19H20FN3O/c1-24-18-10-13(20)2-3-15(18)14-6-9-22-19-16(14)11-17(23-19)12-4-7-21-8-5-12/h2-3,6,9-12,21H,4-5,7-8H2,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249
BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588264
(CHEMBL5207871)Show SMILES CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCC2)CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249
BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588274
(CHEMBL5195947)Show SMILES COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249
BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50254814
(CHEMBL4059912)Show SMILES C[C@H]1NCCC[C@@H]1Nc1ncc(C(N)=O)c2sc(cc12)-c1ccccc1 |r| Show InChI InChI=1S/C20H22N4OS/c1-12-16(8-5-9-22-12)24-20-14-10-17(13-6-3-2-4-7-13)26-18(14)15(11-23-20)19(21)25/h2-4,6-7,10-12,16,22H,5,8-9H2,1H3,(H2,21,25)(H,23,24)/t12-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 (unknown origin) |
J Med Chem 61: 1061-1073 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01490
BindingDB Entry DOI: 10.7270/Q2PC34T5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50255178
(CHEMBL4079910)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccsc1 |r| Show InChI InChI=1S/C17H18N4OS2/c18-16(22)13-8-20-17(21-11-2-1-4-19-7-11)12-6-14(24-15(12)13)10-3-5-23-9-10/h3,5-6,8-9,11,19H,1-2,4,7H2,(H2,18,22)(H,20,21)/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| 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 |
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 (unknown origin) |
J Med Chem 61: 1061-1073 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01490
BindingDB Entry DOI: 10.7270/Q2PC34T5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50243049
((S)-1-(5-(4-cyanophenyl)-3-(piperidin-3-ylcarbamoy...)Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C18H19N5O2S/c19-9-11-3-5-12(6-4-11)15-8-14(17(26-15)23-18(20)25)16(24)22-13-2-1-7-21-10-13/h3-6,8,13,21H,1-2,7,10H2,(H,22,24)(H3,20,23,25)/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 4242-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50243150
(1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(pyridin-3-yl...)Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1cccnc1 |r| Show InChI InChI=1S/C16H19N5O2S/c17-16(23)21-15-12(14(22)20-11-4-2-6-19-9-11)7-13(24-15)10-3-1-5-18-8-10/h1,3,5,7-8,11,19H,2,4,6,9H2,(H,20,22)(H3,17,21,23)/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 4242-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50243149
(1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(thiophen-3-y...)Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccsc1 |r| Show InChI InChI=1S/C15H18N4O2S2/c16-15(21)19-14-11(6-12(23-14)9-3-5-22-8-9)13(20)18-10-2-1-4-17-7-10/h3,5-6,8,10,17H,1-2,4,7H2,(H,18,20)(H3,16,19,21)/t10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 4242-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50243102
((S)-1-(5-(4-(methylsulfonyl)phenyl)-3-(piperidin-3...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(=O)N[C@H]2CCCNC2)c(NC(N)=O)s1 |r| Show InChI InChI=1S/C18H22N4O4S2/c1-28(25,26)13-6-4-11(5-7-13)15-9-14(17(27-15)22-18(19)24)16(23)21-12-3-2-8-20-10-12/h4-7,9,12,20H,2-3,8,10H2,1H3,(H,21,23)(H3,19,22,24)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 4242-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50255167
(CHEMBL4066751)Show SMILES Cn1cc(cn1)-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1 |r| Show InChI InChI=1S/C17H20N6OS/c1-23-9-10(6-21-23)14-5-12-15(25-14)13(16(18)24)8-20-17(12)22-11-3-2-4-19-7-11/h5-6,8-9,11,19H,2-4,7H2,1H3,(H2,18,24)(H,20,22)/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| 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 |
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 (unknown origin) |
J Med Chem 61: 1061-1073 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01490
BindingDB Entry DOI: 10.7270/Q2PC34T5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50243258
((S)-1-(5-phenyl-3-(piperidin-3-ylcarbamoyl)thiophe...)Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccccc1 |r| Show InChI InChI=1S/C17H20N4O2S/c18-17(23)21-16-13(15(22)20-12-7-4-8-19-10-12)9-14(24-16)11-5-2-1-3-6-11/h1-3,5-6,9,12,19H,4,7-8,10H2,(H,20,22)(H3,18,21,23)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 (unknown origin) |
J Med Chem 61: 1061-1073 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01490
BindingDB Entry DOI: 10.7270/Q2PC34T5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332136
((S)-2-phenyl-4-(piperidin-3-ylamino)thieno[3,2-c]p...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccccc1 |r| Show InChI InChI=1S/C19H20N4OS/c20-18(24)15-11-22-19(23-13-7-4-8-21-10-13)14-9-16(25-17(14)15)12-5-2-1-3-6-12/h1-3,5-6,9,11,13,21H,4,7-8,10H2,(H2,20,24)(H,22,23)/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 (unknown origin) |
J Med Chem 61: 1061-1073 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01490
BindingDB Entry DOI: 10.7270/Q2PC34T5 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50243147
((S)-1-(5-(4-acetylphenyl)-3-(piperidin-3-ylcarbamo...)Show SMILES CC(=O)c1ccc(cc1)-c1cc(C(=O)N[C@H]2CCCNC2)c(NC(N)=O)s1 |r| Show InChI InChI=1S/C19H22N4O3S/c1-11(24)12-4-6-13(7-5-12)16-9-15(18(27-16)23-19(20)26)17(25)22-14-3-2-8-21-10-14/h4-7,9,14,21H,2-3,8,10H2,1H3,(H,22,25)(H3,20,23,26)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 4242-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50242821
((S)-1-(5-(4-hydroxyphenyl)-3-(piperidin-3-ylcarbam...)Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccc(O)cc1 |r| Show InChI InChI=1S/C17H20N4O3S/c18-17(24)21-16-13(15(23)20-11-2-1-7-19-9-11)8-14(25-16)10-3-5-12(22)6-4-10/h3-6,8,11,19,22H,1-2,7,9H2,(H,20,23)(H3,18,21,24)/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 4242-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50243258
((S)-1-(5-phenyl-3-(piperidin-3-ylcarbamoyl)thiophe...)Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccccc1 |r| Show InChI InChI=1S/C17H20N4O2S/c18-17(23)21-16-13(15(22)20-12-7-4-8-19-10-12)9-14(24-16)11-5-2-1-3-6-11/h1-3,5-6,9,12,19H,4,7-8,10H2,(H,20,22)(H3,18,21,23)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 4242-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM264216
((2R)-N-(3-{5-chloro- 2-[(3-methoxy-1- methyl-1H-py...)Show SMILES COc1nn(C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH... |
J Med Chem 63: 4517-4527 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01392
BindingDB Entry DOI: 10.7270/Q21V5JDF |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588262
(CHEMBL5197170)Show SMILES CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCCC2)CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249
BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588284
(CHEMBL5204473)Show SMILES CC(C)n1nc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249
BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50243100
(1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(3-acetamidop...)Show SMILES CC(=O)Nc1cccc(c1)-c1cc(C(=O)N[C@H]2CCCNC2)c(NC(N)=O)s1 |r| Show InChI InChI=1S/C19H23N5O3S/c1-11(25)22-13-5-2-4-12(8-13)16-9-15(18(28-16)24-19(20)27)17(26)23-14-6-3-7-21-10-14/h2,4-5,8-9,14,21H,3,6-7,10H2,1H3,(H,22,25)(H,23,26)(H3,20,24,27)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 4242-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM264217
((2R)-N-(3-{5-bromo- 2-[(3-methoxy-1- methyl-1H-pyr...)Show SMILES COc1nn(C)cc1Nc1ncc(Br)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH... |
J Med Chem 63: 4517-4527 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01392
BindingDB Entry DOI: 10.7270/Q21V5JDF |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM454563
(US10717746, Example 44)Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(ccn1)-c1cnn2CCC(C)(C)Cc12 |r| Show InChI InChI=1S/C23H31N5O2/c1-15(29)26-18-6-4-5-17(11-18)22(30)27-21-12-16(7-9-24-21)19-14-25-28-10-8-23(2,3)13-20(19)28/h7,9,12,14,17-18H,4-6,8,10-11,13H2,1-3H3,(H,26,29)(H,24,27,30)/t17-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length human N-terminal GST-fused CDK9 (1 to 372 residues)/His-tagged CyclinT1 (1 to 726 residues) expressed in baculo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01754
BindingDB Entry DOI: 10.7270/Q2M90D8V |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588258
(CHEMBL5173041)Show SMILES COc1cc(ccc1-c1ccnc2[nH]c(nc12)-c1ccc(CN2CCOCC2)cc1)C(=O)N1CCCC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249
BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50255163
(CHEMBL4067770)Show SMILES NC(=O)c1ccc(N[C@H]2CCCNC2)c2cc([nH]c12)-c1cccc(F)c1 |r| Show InChI InChI=1S/C20H21FN4O/c21-13-4-1-3-12(9-13)18-10-16-17(24-14-5-2-8-23-11-14)7-6-15(20(22)26)19(16)25-18/h1,3-4,6-7,9-10,14,23-25H,2,5,8,11H2,(H2,22,26)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 (unknown origin) |
J Med Chem 61: 1061-1073 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01490
BindingDB Entry DOI: 10.7270/Q2PC34T5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50242822
(1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(2-fluorophen...)Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccccc1F |r| Show InChI InChI=1S/C17H19FN4O2S/c18-13-6-2-1-5-11(13)14-8-12(16(25-14)22-17(19)24)15(23)21-10-4-3-7-20-9-10/h1-2,5-6,8,10,20H,3-4,7,9H2,(H,21,23)(H3,19,22,24)/t10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 4242-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50135127
(CHEMBL3746766)Show SMILES COc1ccc(-c2nc3c(NCC4CCNCC4)c(Cl)cnc3[nH]2)c(C)c1 Show InChI InChI=1S/C20H24ClN5O/c1-12-9-14(27-2)3-4-15(12)19-25-18-17(16(21)11-24-20(18)26-19)23-10-13-5-7-22-8-6-13/h3-4,9,11,13,22H,5-8,10H2,1-2H3,(H2,23,24,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-fused human recombinant JAK1 (866 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH2 as subs... |
Bioorg Med Chem Lett 26: 60-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.031
BindingDB Entry DOI: 10.7270/Q2Z60QWQ |
More data for this
Ligand-Target Pair | |
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