Found 55 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325177
(5-methyl-8-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]...)Show InChI InChI=1S/C15H12N4O/c1-9-7-14-17-18-15(20)19(14)13-8-10(4-5-11(9)13)12-3-2-6-16-12/h2-8,16H,1H3,(H,18,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.100 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379546
(CHEMBL2012879)Show InChI InChI=1S/C16H13N3O2S/c1-21-8-12-7-15-17-18-16(20)19(15)14-6-10(2-3-13(12)14)11-4-5-22-9-11/h2-7,9H,8H2,1H3,(H,18,20) | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379547
(CHEMBL2012859)Show SMILES CN1CCN(Cc2cc(cs2)-c2ccc3c(N)cc4n[nH]c(=O)n4c3c2)CC1 Show InChI InChI=1S/C20H22N6OS/c1-24-4-6-25(7-5-24)11-15-8-14(12-28-15)13-2-3-16-17(21)10-19-22-23-20(27)26(19)18(16)9-13/h2-3,8-10,12H,4-7,11,21H2,1H3,(H,23,27) | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379548
(CHEMBL2012858)Show InChI InChI=1S/C16H15N5OS/c1-18-7-11-4-10(8-23-11)9-2-3-12-13(17)6-15-19-20-16(22)21(15)14(12)5-9/h2-6,8,18H,7,17H2,1H3,(H,20,22) | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379549
(CHEMBL2012857)Show InChI InChI=1S/C14H10N4OS/c15-11-6-13-16-17-14(19)18(13)12-5-8(1-2-10(11)12)9-3-4-20-7-9/h1-7H,15H2,(H,17,19) | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
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 |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of Chk1 |
Bioorg Med Chem Lett 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379550
(CHEMBL2012852)Show SMILES CNCc1cc(cs1)-c1ccc2c(cc3n[nH]c(=O)n3c2c1)C(=O)NCCN(C)C Show InChI InChI=1S/C21H24N6O2S/c1-22-11-15-8-14(12-30-15)13-4-5-16-17(20(28)23-6-7-26(2)3)10-19-24-25-21(29)27(19)18(16)9-13/h4-5,8-10,12,22H,6-7,11H2,1-3H3,(H,23,28)(H,25,29) | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379552
(CHEMBL2012877)Show InChI InChI=1S/C15H11N3O2S/c19-8-10-7-14-16-17-15(20)18(14)12-6-9(3-4-11(10)12)13-2-1-5-21-13/h1-7,19H,8H2,(H,17,20) | 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 | 10 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379551
(CHEMBL2012863)Show InChI InChI=1S/C14H10N4O2/c15-10-7-13-16-17-14(19)18(13)11-6-8(3-4-9(10)11)12-2-1-5-20-12/h1-7H,15H2,(H,17,19) | 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 | 10 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325169
(8-(4-(hydroxymethyl)phenyl)-5-methyl-[1,2,4]triazo...)Show InChI InChI=1S/C18H15N3O2/c1-11-8-17-19-20-18(23)21(17)16-9-14(6-7-15(11)16)13-4-2-12(10-22)3-5-13/h2-9,22H,10H2,1H3,(H,20,23) | 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 | 10 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379553
(CHEMBL2012878)Show InChI InChI=1S/C15H11N3O2S/c19-7-11-6-14-16-17-15(20)18(14)13-5-9(1-2-12(11)13)10-3-4-21-8-10/h1-6,8,19H,7H2,(H,17,20) | 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 | 10 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379578
(CHEMBL2012856)Show InChI InChI=1S/C14H10N4OS/c15-10-7-13-16-17-14(19)18(13)11-6-8(3-4-9(10)11)12-2-1-5-20-12/h1-7H,15H2,(H,17,19) | 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 | 10 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379558
(CHEMBL2012860)Show InChI InChI=1S/C13H10N6O/c14-10-4-12-17-18-13(20)19(12)11-3-7(1-2-9(10)11)8-5-15-16-6-8/h1-6H,14H2,(H,15,16)(H,18,20) | 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 | 20 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379560
(CHEMBL2012881)Show InChI InChI=1S/C15H12N4O2/c20-8-10-7-14-17-18-15(21)19(14)13-6-9(3-4-11(10)13)12-2-1-5-16-12/h1-7,16,20H,8H2,(H,18,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 20 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325175
(5-methyl-8-(thiophen-2-yl)-[1,2,4]triazolo[4,3-a]q...)Show InChI InChI=1S/C15H11N3OS/c1-9-7-14-16-17-15(19)18(14)12-8-10(4-5-11(9)12)13-3-2-6-20-13/h2-8H,1H3,(H,17,19) | 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 | 20 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379556
(CHEMBL2012850)Show SMILES NC1CN(C1)C(=O)c1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccsc1 Show InChI InChI=1S/C18H15N5O2S/c19-12-7-22(8-12)17(24)14-6-16-20-21-18(25)23(16)15-5-10(1-2-13(14)15)11-3-4-26-9-11/h1-6,9,12H,7-8,19H2,(H,21,25) | 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 | 20 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379554
(CHEMBL2012841)Show SMILES CNCCNC(=O)c1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1 Show InChI InChI=1S/C18H18N6O2/c1-19-7-8-21-17(25)13-10-16-22-23-18(26)24(16)15-9-11(4-5-12(13)15)14-3-2-6-20-14/h2-6,9-10,19-20H,7-8H2,1H3,(H,21,25)(H,23,26) | 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 | 20 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379561
(CHEMBL2012882)Show InChI InChI=1S/C15H11N3O3/c19-8-10-7-14-16-17-15(20)18(14)12-6-9(3-4-11(10)12)13-2-1-5-21-13/h1-7,19H,8H2,(H,17,20) | 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 | 20 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379559
(CHEMBL2012880)Show InChI InChI=1S/C14H11N5O2/c20-7-9-4-13-17-18-14(21)19(13)12-3-8(1-2-11(9)12)10-5-15-16-6-10/h1-6,20H,7H2,(H,15,16)(H,18,21) | 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 | 20 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379555
(CHEMBL2012842)Show SMILES CN(C)CCNC(=O)c1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1 Show InChI InChI=1S/C19H20N6O2/c1-24(2)9-8-21-18(26)14-11-17-22-23-19(27)25(17)16-10-12(5-6-13(14)16)15-4-3-7-20-15/h3-7,10-11,20H,8-9H2,1-2H3,(H,21,26)(H,23,27) | 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 | 20 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379557
(CHEMBL2012853)Show SMILES CN(C)CCNC(=O)c1cc2n[nH]c(=O)n2c2cc(ccc12)-c1csc(CN2CCN(C)CC2)c1 Show InChI InChI=1S/C25H31N7O2S/c1-29(2)7-6-26-24(33)21-14-23-27-28-25(34)32(23)22-13-17(4-5-20(21)22)18-12-19(35-16-18)15-31-10-8-30(3)9-11-31/h4-5,12-14,16H,6-11,15H2,1-3H3,(H,26,33)(H,28,34) | 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 | 20 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379562
(CHEMBL2012848)Show SMILES CN(C)CCNC(=O)c1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccsc1 Show InChI InChI=1S/C19H19N5O2S/c1-23(2)7-6-20-18(25)15-10-17-21-22-19(26)24(17)16-9-12(3-4-14(15)16)13-5-8-27-11-13/h3-5,8-11H,6-7H2,1-2H3,(H,20,25)(H,22,26) | 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 | 30 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379565
(CHEMBL2012870)Show SMILES OCCNCc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1 Show InChI InChI=1S/C17H17N5O2/c23-7-6-18-10-12-9-16-20-21-17(24)22(16)15-8-11(3-4-13(12)15)14-2-1-5-19-14/h1-5,8-9,18-19,23H,6-7,10H2,(H,21,24) | 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 | 30 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379579
(CHEMBL2012883)Show InChI InChI=1S/C15H11N3O3/c19-7-11-6-14-16-17-15(20)18(14)13-5-9(1-2-12(11)13)10-3-4-21-8-10/h1-6,8,19H,7H2,(H,17,20) | 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 | 30 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379564
(CHEMBL2012865)Show InChI InChI=1S/C15H13N5O/c16-8-10-7-14-18-19-15(21)20(14)13-6-9(3-4-11(10)13)12-2-1-5-17-12/h1-7,17H,8,16H2,(H,19,21) | 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 | 30 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379563
(CHEMBL2012861)Show InChI InChI=1S/C14H11N5O/c15-10-7-13-17-18-14(20)19(13)12-6-8(3-4-9(10)12)11-2-1-5-16-11/h1-7,16H,15H2,(H,18,20) | 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 | 30 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379566
(CHEMBL2012872)Show SMILES O[C@H]1CCN(Cc2cc3n[nH]c(=O)n3c3cc(ccc23)-c2ccc[nH]2)C1 |r| Show InChI InChI=1S/C19H19N5O2/c25-14-5-7-23(11-14)10-13-9-18-21-22-19(26)24(18)17-8-12(3-4-15(13)17)16-2-1-6-20-16/h1-4,6,8-9,14,20,25H,5,7,10-11H2,(H,22,26)/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 | 30 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379569
(CHEMBL2012862)Show InChI InChI=1S/C14H10N4O2/c15-11-6-13-16-17-14(19)18(13)12-5-8(1-2-10(11)12)9-3-4-20-7-9/h1-7H,15H2,(H,17,19) | 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 | 40 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379567
(CHEMBL2012847)Show SMILES CNCCNC(=O)c1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccsc1 Show InChI InChI=1S/C18H17N5O2S/c1-19-5-6-20-17(24)14-9-16-21-22-18(25)23(16)15-8-11(2-3-13(14)15)12-4-7-26-10-12/h2-4,7-10,19H,5-6H2,1H3,(H,20,24)(H,22,25) | 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 | 40 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379570
(CHEMBL2012868)Show SMILES CN(C)CCNCc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1 Show InChI InChI=1S/C19H22N6O/c1-24(2)9-8-20-12-14-11-18-22-23-19(26)25(18)17-10-13(5-6-15(14)17)16-4-3-7-21-16/h3-7,10-11,20-21H,8-9,12H2,1-2H3,(H,23,26) | 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 | 40 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379568
(CHEMBL2012855)Show SMILES CN(C)CCC(=O)Nc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccsc1 Show InChI InChI=1S/C19H19N5O2S/c1-23(2)7-5-18(25)20-15-10-17-21-22-19(26)24(17)16-9-12(3-4-14(15)16)13-6-8-27-11-13/h3-4,6,8-11H,5,7H2,1-2H3,(H,20,25)(H,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379571
(CHEMBL2012884)Show InChI InChI=1S/C16H12N4O2/c21-9-12-8-15-18-19-16(22)20(15)14-7-11(1-2-13(12)14)10-3-5-17-6-4-10/h1-8,21H,9H2,(H,19,22) | 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 | 50 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379577
(CHEMBL2012874)Show SMILES O=c1[nH]nc2cc(CN[C@@H]3CCCNC3)c3ccc(cc3n12)-c1ccc[nH]1 |r| Show InChI InChI=1S/C20H22N6O/c27-20-25-24-19-10-14(11-23-15-3-1-7-21-12-15)16-6-5-13(9-18(16)26(19)20)17-4-2-8-22-17/h2,4-6,8-10,15,21-23H,1,3,7,11-12H2,(H,25,27)/t15-/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 | 90 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379572
(CHEMBL2012871)Show SMILES OCCCNCc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1 Show InChI InChI=1S/C18H19N5O2/c24-8-2-6-19-11-13-10-17-21-22-18(25)23(17)16-9-12(4-5-14(13)16)15-3-1-7-20-15/h1,3-5,7,9-10,19-20,24H,2,6,8,11H2,(H,22,25) | 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 | 90 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379573
(CHEMBL2012866)Show SMILES CN(C)Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1 Show InChI InChI=1S/C17H17N5O/c1-21(2)10-12-9-16-19-20-17(23)22(16)15-8-11(5-6-13(12)15)14-4-3-7-18-14/h3-9,18H,10H2,1-2H3,(H,20,23) | 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 | 100 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379574
(CHEMBL2012843)Show SMILES OCCNC(=O)c1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1 Show InChI InChI=1S/C17H15N5O3/c23-7-6-19-16(24)12-9-15-20-21-17(25)22(15)14-8-10(3-4-11(12)14)13-2-1-5-18-13/h1-5,8-9,18,23H,6-7H2,(H,19,24)(H,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of Chk1 |
Bioorg Med Chem Lett 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379575
(CHEMBL2012864)Show InChI InChI=1S/C15H11N5O/c16-12-8-14-18-19-15(21)20(14)13-7-10(1-2-11(12)13)9-3-5-17-6-4-9/h1-8H,16H2,(H,19,21) | 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 | 130 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50243333
(1-(3-carbamoyl-5-(4-(2-(dimethylamino)ethoxy)pheny...)Show SMILES CN(C)CCOc1ccc(cc1)-c1cc(C(N)=O)c(NC(N)=O)s1 Show InChI InChI=1S/C16H20N4O3S/c1-20(2)7-8-23-11-5-3-10(4-6-11)13-9-12(14(17)21)15(24-13)19-16(18)22/h3-6,9H,7-8H2,1-2H3,(H2,17,21)(H3,18,19,22) | 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 | 150 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379576
(CHEMBL2012839)Show SMILES O=C(N[C@H]1CCCNC1)c1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1 |r| Show InChI InChI=1S/C20H20N6O2/c27-19(23-13-3-1-7-21-11-13)15-10-18-24-25-20(28)26(18)17-9-12(5-6-14(15)17)16-4-2-8-22-16/h2,4-6,8-10,13,21-22H,1,3,7,11H2,(H,23,27)(H,25,28)/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 | 160 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379581
(CHEMBL2012875)Show SMILES OCCN1CCN(Cc2cc3n[nH]c(=O)n3c3cc(ccc23)-c2ccc[nH]2)CC1 Show InChI InChI=1S/C21H24N6O2/c28-11-10-25-6-8-26(9-7-25)14-16-13-20-23-24-21(29)27(20)19-12-15(3-4-17(16)19)18-2-1-5-22-18/h1-5,12-13,22,28H,6-11,14H2,(H,24,29) | 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 | 210 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379582
(CHEMBL2012873)Show SMILES CN1CCN(Cc2cc3n[nH]c(=O)n3c3cc(ccc23)-c2ccc[nH]2)CC1 Show InChI InChI=1S/C20H22N6O/c1-24-7-9-25(10-8-24)13-15-12-19-22-23-20(27)26(19)18-11-14(4-5-16(15)18)17-3-2-6-21-17/h2-6,11-12,21H,7-10,13H2,1H3,(H,23,27) | 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 | 240 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379584
(CHEMBL2012867)Show SMILES NCCNCc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1 Show InChI InChI=1S/C17H18N6O/c18-5-7-19-10-12-9-16-21-22-17(24)23(16)15-8-11(3-4-13(12)15)14-2-1-6-20-14/h1-4,6,8-9,19-20H,5,7,10,18H2,(H,22,24) | 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 | 300 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379583
(CHEMBL2012854)Show InChI InChI=1S/C10H7BrN4O/c11-5-1-2-6-7(12)4-9-13-14-10(16)15(9)8(6)3-5/h1-4H,12H2,(H,14,16) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 300 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50379560
(CHEMBL2012881)Show InChI InChI=1S/C15H12N4O2/c20-8-10-7-14-17-18-15(21)19(14)13-6-9(3-4-11(10)13)12-2-1-5-16-12/h1-7,16,20H,8H2,(H,18,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 319 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
Bioorg Med Chem Lett 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379585
(CHEMBL2012876)Show SMILES O=c1[nH]nc2cc(Cn3ccnc3)c3ccc(cc3n12)-c1ccc[nH]1 Show InChI InChI=1S/C18H14N6O/c25-18-22-21-17-9-13(10-23-7-6-19-11-23)14-4-3-12(8-16(14)24(17)18)15-2-1-5-20-15/h1-9,11,20H,10H2,(H,22,25) | 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 | 400 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379586
(CHEMBL2012840)Show SMILES O=C(N[C@H]1CCCNC1)c1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccsc1 |r| Show InChI InChI=1S/C20H19N5O2S/c26-19(22-14-2-1-6-21-10-14)16-9-18-23-24-20(27)25(18)17-8-12(3-4-15(16)17)13-5-7-28-11-13/h3-5,7-9,11,14,21H,1-2,6,10H2,(H,22,26)(H,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 | 420 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379545
(CHEMBL2012844)Show SMILES OCCCNC(=O)c1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1 Show InChI InChI=1S/C18H17N5O3/c24-8-2-7-20-17(25)13-10-16-21-22-18(26)23(16)15-9-11(4-5-12(13)15)14-3-1-6-19-14/h1,3-6,9-10,19,24H,2,7-8H2,(H,20,25)(H,22,26) | 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 | 440 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379587
(CHEMBL2012845)Show SMILES O[C@H]1CCN(C1)C(=O)c1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1 |r| Show InChI InChI=1S/C19H17N5O3/c25-12-5-7-23(10-12)18(26)14-9-17-21-22-19(27)24(17)16-8-11(3-4-13(14)16)15-2-1-6-20-15/h1-4,6,8-9,12,20,25H,5,7,10H2,(H,22,27)/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 | 440 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379588
(CHEMBL2012846)Show SMILES NCC1CN(C1)C(=O)c1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1 Show InChI InChI=1S/C19H18N6O2/c20-8-11-9-24(10-11)18(26)14-7-17-22-23-19(27)25(17)16-6-12(3-4-13(14)16)15-2-1-5-21-15/h1-7,11,21H,8-10,20H2,(H,23,27) | 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 | 560 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379589
(CHEMBL2012851)Show SMILES OCCCNC(=O)c1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccsc1 Show InChI InChI=1S/C18H16N4O3S/c23-6-1-5-19-17(24)14-9-16-20-21-18(25)22(16)15-8-11(2-3-13(14)15)12-4-7-26-10-12/h2-4,7-10,23H,1,5-6H2,(H,19,24)(H,21,25) | 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 | 600 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50379560
(CHEMBL2012881)Show InChI InChI=1S/C15H12N4O2/c20-8-10-7-14-17-18-15(21)19(14)13-6-9(3-4-11(10)13)12-2-1-5-16-12/h1-7,16,20H,8H2,(H,18,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of MAP3K7 |
Bioorg Med Chem Lett 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50379560
(CHEMBL2012881)Show InChI InChI=1S/C15H12N4O2/c20-8-10-7-14-17-18-15(21)19(14)13-6-9(3-4-11(10)13)12-2-1-5-16-12/h1-7,16,20H,8H2,(H,18,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 |
Bioorg Med Chem Lett 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50243262
(5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE |...)Show InChI InChI=1S/C11H9N3O/c1-7-6-10-12-13-11(15)14(10)9-5-3-2-4-8(7)9/h2-6H,1H3,(H,13,15) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 800 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379590
(CHEMBL2012849)Show SMILES O=C(NCCN1CCOCC1)c1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccsc1 Show InChI InChI=1S/C21H21N5O3S/c27-20(22-4-5-25-6-8-29-9-7-25)17-12-19-23-24-21(28)26(19)18-11-14(1-2-16(17)18)15-3-10-30-13-15/h1-3,10-13H,4-9H2,(H,22,27)(H,24,28) | 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 | 850 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50379580
(CHEMBL2012869)Show SMILES CN(C)CCCNCc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1 Show InChI InChI=1S/C20H24N6O/c1-25(2)10-4-8-21-13-15-12-19-23-24-20(27)26(19)18-11-14(6-7-16(15)18)17-5-3-9-22-17/h3,5-7,9,11-12,21-22H,4,8,10,13H2,1-2H3,(H,24,27) | 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 | 980 | 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 22: 2330-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
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