Found 57 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)) | BDBM50332159
((S)-2-(4-carbamoylphenyl)-4-(piperidin-3-ylamino)t...)Show SMILES NC(=O)c1ccc(cc1)-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1 |r| Show InChI InChI=1S/C20H21N5O2S/c21-18(26)12-5-3-11(4-6-12)16-8-14-17(28-16)15(19(22)27)10-24-20(14)25-13-2-1-7-23-9-13/h3-6,8,10,13,23H,1-2,7,9H2,(H2,21,26)(H2,22,27)(H,24,25)/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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332171
((S)-2-(4-chlorophenyl)-4-(piperidin-3-ylamino)thie...)Show SMILES NC(=O)c1nnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H18ClN5OS/c19-11-5-3-10(4-6-11)14-8-13-16(26-14)15(17(20)25)23-24-18(13)22-12-2-1-7-21-9-12/h3-6,8,12,21H,1-2,7,9H2,(H2,20,25)(H,22,24)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
| MMDB
PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332163
((S)-2-(4-(dimethylcarbamoyl)phenyl)-4-(piperidin-3...)Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1 |r| Show InChI InChI=1S/C22H25N5O2S/c1-27(2)22(29)14-7-5-13(6-8-14)18-10-16-19(30-18)17(20(23)28)12-25-21(16)26-15-4-3-9-24-11-15/h5-8,10,12,15,24H,3-4,9,11H2,1-2H3,(H2,23,28)(H,25,26)/t15-/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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332150
((S)-2-(4-(methylsulfonyl)phenyl)-4-(piperidin-3-yl...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1 |r| Show InChI InChI=1S/C20H22N4O3S2/c1-29(26,27)14-6-4-12(5-7-14)17-9-15-18(28-17)16(19(21)25)11-23-20(15)24-13-3-2-8-22-10-13/h4-7,9,11,13,22H,2-3,8,10H2,1H3,(H2,21,25)(H,23,24)/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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332172
(5-(4-chlorophenyl)-N-cyclohexyl-2-ureidothiophene-...)Show SMILES NC(=O)Nc1sc(cc1C(=O)NC1CCCCC1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H20ClN3O2S/c19-12-8-6-11(7-9-12)15-10-14(17(25-15)22-18(20)24)16(23)21-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,21,23)(H3,20,22,24) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332131
((S)-2-(3-acetamidophenyl)-4-(piperidin-3-ylamino)t...)Show SMILES CC(=O)Nc1cccc(c1)-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1 |r| Show InChI InChI=1S/C21H23N5O2S/c1-12(27)25-14-5-2-4-13(8-14)18-9-16-19(29-18)17(20(22)28)11-24-21(16)26-15-6-3-7-23-10-15/h2,4-5,8-9,11,15,23H,3,6-7,10H2,1H3,(H2,22,28)(H,24,26)(H,25,27)/t15-/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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332132
((S)-2-(3-aminophenyl)-4-(piperidin-3-ylamino)thien...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1cccc(N)c1 |r| Show InChI InChI=1S/C19H21N5OS/c20-12-4-1-3-11(7-12)16-8-14-17(26-16)15(18(21)25)10-23-19(14)24-13-5-2-6-22-9-13/h1,3-4,7-8,10,13,22H,2,5-6,9,20H2,(H2,21,25)(H,23,24)/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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332134
((S)-2-(3,4-difluorophenyl)-4-(piperidin-3-ylamino)...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C19H18F2N4OS/c20-14-4-3-10(6-15(14)21)16-7-12-17(27-16)13(18(22)26)9-24-19(12)25-11-2-1-5-23-8-11/h3-4,6-7,9,11,23H,1-2,5,8H2,(H2,22,26)(H,24,25)/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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332156
((S)-2-(benzofuran-2-yl)-4-(piperidin-3-ylamino)thi...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1cc2ccccc2o1 |r| Show InChI InChI=1S/C21H20N4O2S/c22-20(26)15-11-24-21(25-13-5-3-7-23-10-13)14-9-18(28-19(14)15)17-8-12-4-1-2-6-16(12)27-17/h1-2,4,6,8-9,11,13,23H,3,5,7,10H2,(H2,22,26)(H,24,25)/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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332162
((S)-4-(piperidin-3-ylamino)-2-(3-(pyrrolidin-1-yl)...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1cccc(c1)N1CCCC1 |r| Show InChI InChI=1S/C23H27N5OS/c24-22(29)19-14-26-23(27-16-6-4-8-25-13-16)18-12-20(30-21(18)19)15-5-3-7-17(11-15)28-9-1-2-10-28/h3,5,7,11-12,14,16,25H,1-2,4,6,8-10,13H2,(H2,24,29)(H,26,27)/t16-/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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332142
((S)-2-(3-(hydroxymethyl)phenyl)-4-(piperidin-3-yla...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1cccc(CO)c1 |r| Show InChI InChI=1S/C20H22N4O2S/c21-19(26)16-10-23-20(24-14-5-2-6-22-9-14)15-8-17(27-18(15)16)13-4-1-3-12(7-13)11-25/h1,3-4,7-8,10,14,22,25H,2,5-6,9,11H2,(H2,21,26)(H,23,24)/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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332140
((S)-2-(3-methoxyphenyl)-4-(piperidin-3-ylamino)thi...)Show SMILES COc1cccc(c1)-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1 |r| Show InChI InChI=1S/C20H22N4O2S/c1-26-14-6-2-4-12(8-14)17-9-15-18(27-17)16(19(21)25)11-23-20(15)24-13-5-3-7-22-10-13/h2,4,6,8-9,11,13,22H,3,5,7,10H2,1H3,(H2,21,25)(H,23,24)/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332133
((S)-4-(piperidin-3-ylamino)-2-(pyridin-4-yl)thieno...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccncc1 |r| Show InChI InChI=1S/C18H19N5OS/c19-17(24)14-10-22-18(23-12-2-1-5-21-9-12)13-8-15(25-16(13)14)11-3-6-20-7-4-11/h3-4,6-8,10,12,21H,1-2,5,9H2,(H2,19,24)(H,22,23)/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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332177
((S)-4-(azepan-3-ylamino)-2-(4-chlorophenyl)thieno[...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCCNC2)c2cc(sc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H21ClN4OS/c21-13-6-4-12(5-7-13)17-9-15-18(27-17)16(19(22)26)11-24-20(15)25-14-3-1-2-8-23-10-14/h4-7,9,11,14,23H,1-3,8,10H2,(H2,22,26)(H,24,25)/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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332173
((S)-2-(4-chlorophenyl)-4-(piperidin-3-ylamino)thie...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H19ClN4OS/c20-12-5-3-11(4-6-12)16-8-14-17(26-16)15(18(21)25)10-23-19(14)24-13-2-1-7-22-9-13/h3-6,8,10,13,22H,1-2,7,9H2,(H2,21,25)(H,23,24)/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332141
((S)-2-(4-methoxyphenyl)-4-(piperidin-3-ylamino)thi...)Show SMILES COc1ccc(cc1)-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1 |r| Show InChI InChI=1S/C20H22N4O2S/c1-26-14-6-4-12(5-7-14)17-9-15-18(27-17)16(19(21)25)11-23-20(15)24-13-3-2-8-22-10-13/h4-7,9,11,13,22H,2-3,8,10H2,1H3,(H2,21,25)(H,23,24)/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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332164
((S)-2-(6-methoxypyridin-3-yl)-4-(piperidin-3-ylami...)Show SMILES COc1ccc(cn1)-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1 |r| Show InChI InChI=1S/C19H21N5O2S/c1-26-16-5-4-11(8-22-16)15-7-13-17(27-15)14(18(20)25)10-23-19(13)24-12-3-2-6-21-9-12/h4-5,7-8,10,12,21H,2-3,6,9H2,1H3,(H2,20,25)(H,23,24)/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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332155
((S)-2-(3-chloro-4-fluorophenyl)-4-(piperidin-3-yla...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C19H18ClFN4OS/c20-14-6-10(3-4-15(14)21)16-7-12-17(27-16)13(18(22)26)9-24-19(12)25-11-2-1-5-23-8-11/h3-4,6-7,9,11,23H,1-2,5,8H2,(H2,22,26)(H,24,25)/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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332130
((S)-2-(3-chlorophenyl)-4-(piperidin-3-ylamino)thie...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C19H19ClN4OS/c20-12-4-1-3-11(7-12)16-8-14-17(26-16)15(18(21)25)10-23-19(14)24-13-5-2-6-22-9-13/h1,3-4,7-8,10,13,22H,2,5-6,9H2,(H2,21,25)(H,23,24)/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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332143
((S)-2-(benzo[b]thiophen-5-yl)-4-(piperidin-3-ylami...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccc2sccc2c1 |r| Show InChI InChI=1S/C21H20N4OS2/c22-20(26)16-11-24-21(25-14-2-1-6-23-10-14)15-9-18(28-19(15)16)12-3-4-17-13(8-12)5-7-27-17/h3-5,7-9,11,14,23H,1-2,6,10H2,(H2,22,26)(H,24,25)/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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332144
((S)-2-(4-phenoxyphenyl)-4-(piperidin-3-ylamino)thi...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C25H24N4O2S/c26-24(30)21-15-28-25(29-17-5-4-12-27-14-17)20-13-22(32-23(20)21)16-8-10-19(11-9-16)31-18-6-2-1-3-7-18/h1-3,6-11,13,15,17,27H,4-5,12,14H2,(H2,26,30)(H,28,29)/t17-/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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332129
((S)-2-(3,5-difluorophenyl)-4-(piperidin-3-ylamino)...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C19H18F2N4OS/c20-11-4-10(5-12(21)6-11)16-7-14-17(27-16)15(18(22)26)9-24-19(14)25-13-2-1-3-23-8-13/h4-7,9,13,23H,1-3,8H2,(H2,22,26)(H,24,25)/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332135
((S)-4-(piperidin-3-ylamino)-2-(pyridin-3-yl)thieno...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1cccnc1 |r| Show InChI InChI=1S/C18H19N5OS/c19-17(24)14-10-22-18(23-12-4-2-6-21-9-12)13-7-15(25-16(13)14)11-3-1-5-20-8-11/h1,3,5,7-8,10,12,21H,2,4,6,9H2,(H2,19,24)(H,22,23)/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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332160
((S)-4-(piperidin-3-ylamino)-2-(quinolin-6-yl)thien...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccc2ncccc2c1 |r| Show InChI InChI=1S/C22H21N5OS/c23-21(28)17-12-26-22(27-15-4-2-7-24-11-15)16-10-19(29-20(16)17)14-5-6-18-13(9-14)3-1-8-25-18/h1,3,5-6,8-10,12,15,24H,2,4,7,11H2,(H2,23,28)(H,26,27)/t15-/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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332152
((S)-2-(4-fluorophenyl)-4-(piperidin-3-ylamino)thie...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H19FN4OS/c20-12-5-3-11(4-6-12)16-8-14-17(26-16)15(18(21)25)10-23-19(14)24-13-2-1-7-22-9-13/h3-6,8,10,13,22H,1-2,7,9H2,(H2,21,25)(H,23,24)/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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332149
((S)-4-(piperidin-3-ylamino)-2-(4-(trifluoromethyl)...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C20H19F3N4OS/c21-20(22,23)12-5-3-11(4-6-12)16-8-14-17(29-16)15(18(24)28)10-26-19(14)27-13-2-1-7-25-9-13/h3-6,8,10,13,25H,1-2,7,9H2,(H2,24,28)(H,26,27)/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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332138
((S)-2-(1H-indol-4-yl)-4-(piperidin-3-ylamino)thien...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1cccc2[nH]ccc12 |r| Show InChI InChI=1S/C21H21N5OS/c22-20(27)16-11-25-21(26-12-3-2-7-23-10-12)15-9-18(28-19(15)16)14-4-1-5-17-13(14)6-8-24-17/h1,4-6,8-9,11-12,23-24H,2-3,7,10H2,(H2,22,27)(H,25,26)/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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332151
((S)-2-(3-cyanophenyl)-4-(piperidin-3-ylamino)thien...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1cccc(c1)C#N |r| Show InChI InChI=1S/C20H19N5OS/c21-9-12-3-1-4-13(7-12)17-8-15-18(27-17)16(19(22)26)11-24-20(15)25-14-5-2-6-23-10-14/h1,3-4,7-8,11,14,23H,2,5-6,10H2,(H2,22,26)(H,24,25)/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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332121
(2-(4-chlorophenyl)-4-(2-(methylamino)ethylamino)th...)Show InChI InChI=1S/C17H17ClN4OS/c1-20-6-7-21-17-12-8-14(10-2-4-11(18)5-3-10)24-15(12)13(9-22-17)16(19)23/h2-5,8-9,20H,6-7H2,1H3,(H2,19,23)(H,21,22) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332161
((S)-2-(1-methyl-1H-indol-5-yl)-4-(piperidin-3-ylam...)Show SMILES Cn1ccc2cc(ccc12)-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1 |r| Show InChI InChI=1S/C22H23N5OS/c1-27-8-6-13-9-14(4-5-18(13)27)19-10-16-20(29-19)17(21(23)28)12-25-22(16)26-15-3-2-7-24-11-15/h4-6,8-10,12,15,24H,2-3,7,11H2,1H3,(H2,23,28)(H,25,26)/t15-/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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332153
((S)-4-(piperidin-3-ylamino)-2-(4-(trifluoromethoxy...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C20H19F3N4O2S/c21-20(22,23)29-13-5-3-11(4-6-13)16-8-14-17(30-16)15(18(24)28)10-26-19(14)27-12-2-1-7-25-9-12/h3-6,8,10,12,25H,1-2,7,9H2,(H2,24,28)(H,26,27)/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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332170
((S)-2-(4-chlorophenyl)-4-(piperidin-3-ylamino)thia...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(sc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H18ClN5OS/c19-11-5-3-10(4-6-11)18-24-14-15(26-18)13(16(20)25)9-22-17(14)23-12-2-1-7-21-8-12/h3-6,9,12,21H,1-2,7-8H2,(H2,20,25)(H,22,23)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332147
((S)-2-(2,4-difluorophenyl)-4-(piperidin-3-ylamino)...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C19H18F2N4OS/c20-10-3-4-12(15(21)6-10)16-7-13-17(27-16)14(18(22)26)9-24-19(13)25-11-2-1-5-23-8-11/h3-4,6-7,9,11,23H,1-2,5,8H2,(H2,22,26)(H,24,25)/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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332148
((S)-2-(4-chloro-3-fluorophenyl)-4-(piperidin-3-yla...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C19H18ClFN4OS/c20-14-4-3-10(6-15(14)21)16-7-12-17(27-16)13(18(22)26)9-24-19(12)25-11-2-1-5-23-8-11/h3-4,6-7,9,11,23H,1-2,5,8H2,(H2,22,26)(H,24,25)/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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332174
((S)-2-(4-chlorophenyl)-4-(pyrrolidin-3-ylamino)thi...)Show SMILES NC(=O)c1cnc(N[C@H]2CCNC2)c2cc(sc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H17ClN4OS/c19-11-3-1-10(2-4-11)15-7-13-16(25-15)14(17(20)24)9-22-18(13)23-12-5-6-21-8-12/h1-4,7,9,12,21H,5-6,8H2,(H2,20,24)(H,22,23)/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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332146
((S)-2-(1H-indol-6-yl)-4-(piperidin-3-ylamino)thien...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccc2cc[nH]c2c1 |r| Show InChI InChI=1S/C21H21N5OS/c22-20(27)16-11-25-21(26-14-2-1-6-23-10-14)15-9-18(28-19(15)16)13-4-3-12-5-7-24-17(12)8-13/h3-5,7-9,11,14,23-24H,1-2,6,10H2,(H2,22,27)(H,25,26)/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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332166
((S)-2-(4-(N,N-dimethylsulfamoyl)phenyl)-4-(piperid...)Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1 |r| Show InChI InChI=1S/C21H25N5O3S2/c1-26(2)31(28,29)15-7-5-13(6-8-15)18-10-16-19(30-18)17(20(22)27)12-24-21(16)25-14-4-3-9-23-11-14/h5-8,10,12,14,23H,3-4,9,11H2,1-2H3,(H2,22,27)(H,24,25)/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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332139
((S)-2-(2-methoxyphenyl)-4-(piperidin-3-ylamino)thi...)Show SMILES COc1ccccc1-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1 |r| Show InChI InChI=1S/C20H22N4O2S/c1-26-16-7-3-2-6-13(16)17-9-14-18(27-17)15(19(21)25)11-23-20(14)24-12-5-4-8-22-10-12/h2-3,6-7,9,11-12,22H,4-5,8,10H2,1H3,(H2,21,25)(H,23,24)/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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332165
((S)-2-(3-(N,N-dimethylsulfamoyl)phenyl)-4-(piperid...)Show SMILES CN(C)S(=O)(=O)c1cccc(c1)-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1 |r| Show InChI InChI=1S/C21H25N5O3S2/c1-26(2)31(28,29)15-7-3-5-13(9-15)18-10-16-19(30-18)17(20(22)27)12-24-21(16)25-14-6-4-8-23-11-14/h3,5,7,9-10,12,14,23H,4,6,8,11H2,1-2H3,(H2,22,27)(H,24,25)/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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332137
((S)-2-(2-chlorophenyl)-4-(piperidin-3-ylamino)thie...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccccc1Cl |r| Show InChI InChI=1S/C19H19ClN4OS/c20-15-6-2-1-5-12(15)16-8-13-17(26-16)14(18(21)25)10-23-19(13)24-11-4-3-7-22-9-11/h1-2,5-6,8,10-11,22H,3-4,7,9H2,(H2,21,25)(H,23,24)/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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332128
((S)-2-(5-fluoro-2-methoxyphenyl)-4-(piperidin-3-yl...)Show SMILES COc1ccc(F)cc1-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1 |r| Show InChI InChI=1S/C20H21FN4O2S/c1-27-16-5-4-11(21)7-13(16)17-8-14-18(28-17)15(19(22)26)10-24-20(14)25-12-3-2-6-23-9-12/h4-5,7-8,10,12,23H,2-3,6,9H2,1H3,(H2,22,26)(H,24,25)/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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332158
((S)-4-(piperidin-3-ylamino)-2-(quinolin-3-yl)thien...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1cnc2ccccc2c1 |r| Show InChI InChI=1S/C22H21N5OS/c23-21(28)17-12-26-22(27-15-5-3-7-24-11-15)16-9-19(29-20(16)17)14-8-13-4-1-2-6-18(13)25-10-14/h1-2,4,6,8-10,12,15,24H,3,5,7,11H2,(H2,23,28)(H,26,27)/t15-/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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332167
((S)-2-bromo-4-(piperidin-3-ylamino)thieno[3,2-c]py...)Show InChI InChI=1S/C13H15BrN4OS/c14-10-4-8-11(20-10)9(12(15)19)6-17-13(8)18-7-2-1-3-16-5-7/h4,6-7,16H,1-3,5H2,(H2,15,19)(H,17,18)/t7-/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 | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332145
((S)-2-(1H-indol-5-yl)-4-(piperidin-3-ylamino)thien...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C21H21N5OS/c22-20(27)16-11-25-21(26-14-2-1-6-23-10-14)15-9-18(28-19(15)16)13-3-4-17-12(8-13)5-7-24-17/h3-5,7-9,11,14,23-24H,1-2,6,10H2,(H2,22,27)(H,25,26)/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 | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332154
((S)-4-(piperidin-3-ylamino)-2-(pyrimidin-2-yl)thie...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ncccn1 |r| Show InChI InChI=1S/C17H18N6OS/c18-15(24)12-9-22-16(23-10-3-1-4-19-8-10)11-7-13(25-14(11)12)17-20-5-2-6-21-17/h2,5-7,9-10,19H,1,3-4,8H2,(H2,18,24)(H,22,23)/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 | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332157
((S)-4-(piperidin-3-ylamino)-2-(pyridin-3-ylethynyl...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)C#Cc1cccnc1 |r| Show InChI InChI=1S/C20H19N5OS/c21-19(26)17-12-24-20(25-14-4-2-8-23-11-14)16-9-15(27-18(16)17)6-5-13-3-1-7-22-10-13/h1,3,7,9-10,12,14,23H,2,4,8,11H2,(H2,21,26)(H,24,25)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332125
((R)-4-(3-aminopiperidin-1-yl)-2-(4-chlorophenyl)th...)Show SMILES N[C@@H]1CCCN(C1)c1ncc(C(N)=O)c2sc(cc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H19ClN4OS/c20-12-5-3-11(4-6-12)16-8-14-17(26-16)15(18(22)25)9-23-19(14)24-7-1-2-13(21)10-24/h3-6,8-9,13H,1-2,7,10,21H2,(H2,22,25)/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 | 148 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332123
((S)-2-(4-chlorophenyl)-4-(pyrrolidin-2-ylmethylami...)Show SMILES NC(=O)c1cnc(NC[C@@H]2CCCN2)c2cc(sc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H19ClN4OS/c20-12-5-3-11(4-6-12)16-8-14-17(26-16)15(18(21)25)10-24-19(14)23-9-13-2-1-7-22-13/h3-6,8,10,13,22H,1-2,7,9H2,(H2,21,25)(H,23,24)/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 | 197 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332126
((R)-2-(4-chlorophenyl)-4-(piperidin-3-ylamino)thie...)Show SMILES NC(=O)c1cnc(N[C@@H]2CCCNC2)c2cc(sc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H19ClN4OS/c20-12-5-3-11(4-6-12)16-8-14-17(26-16)15(18(21)25)10-23-19(14)24-13-2-1-7-22-9-13/h3-6,8,10,13,22H,1-2,7,9H2,(H2,21,25)(H,23,24)/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 | 211 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332122
(2-(4-chlorophenyl)-4-(piperidin-2-ylmethylamino)th...)Show SMILES NC(=O)c1cnc(NCC2CCCCN2)c2cc(sc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClN4OS/c21-13-6-4-12(5-7-13)17-9-15-18(27-17)16(19(22)26)11-25-20(15)24-10-14-3-1-2-8-23-14/h4-7,9,11,14,23H,1-3,8,10H2,(H2,22,26)(H,24,25) | 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 | 292 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332175
(4-(azetidin-3-ylamino)-2-(4-chlorophenyl)thieno[3,...)Show SMILES NC(=O)c1cnc(NC2CNC2)c2cc(sc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C17H15ClN4OS/c18-10-3-1-9(2-4-10)14-5-12-15(24-14)13(16(19)23)8-21-17(12)22-11-6-20-7-11/h1-5,8,11,20H,6-7H2,(H2,19,23)(H,21,22) | 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 | 707 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332168
((S)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7...)Show InChI InChI=1S/C13H16N4OS/c14-12(18)10-7-16-13(9-3-5-19-11(9)10)17-8-2-1-4-15-6-8/h3,5,7-8,15H,1-2,4,6H2,(H2,14,18)(H,16,17)/t8-/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 | 717 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332176
((S)-1-(3-(3-aminoazepane-1-carbonyl)-5-(4-chloroph...)Show SMILES N[C@H]1CCCCN(C1)C(=O)c1cc(sc1NC(N)=O)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H21ClN4O2S/c19-12-6-4-11(5-7-12)15-9-14(16(26-15)22-18(21)25)17(24)23-8-2-1-3-13(20)10-23/h4-7,9,13H,1-3,8,10,20H2,(H3,21,22,25)/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 | 746 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332124
((R)-2-(4-chlorophenyl)-4-(thiazolidin-4-ylmethylam...)Show SMILES NC(=O)c1cnc(NC[C@@H]2CSCN2)c2cc(sc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H17ClN4OS2/c19-11-3-1-10(2-4-11)15-5-13-16(26-15)14(17(20)24)7-22-18(13)21-6-12-8-25-9-23-12/h1-5,7,12,23H,6,8-9H2,(H2,20,24)(H,21,22)/t12-/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 | 937 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332169
((S)-2-(4-chlorophenyl)-7-(piperidin-3-ylamino)thie...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2sc(cc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H19ClN4OS/c20-12-5-3-11(4-6-12)16-8-14-15(18(21)25)10-23-19(17(14)26-16)24-13-2-1-7-22-9-13/h3-6,8,10,13,22H,1-2,7,9H2,(H2,21,25)(H,23,24)/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332127
(4-((1R,2R)-2-aminocyclohexylamino)-2-(4-chlorophen...)Show SMILES N[C@@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c2sc(cc12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H21ClN4OS/c21-12-7-5-11(6-8-12)17-9-13-18(27-17)14(19(23)26)10-24-20(13)25-16-4-2-1-3-15(16)22/h5-10,15-16H,1-4,22H2,(H2,23,26)(H,24,25)/t15-,16-/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 | 2.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 20: 7216-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
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