Found 45 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)) | BDBM50195211
(2-oxo-3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)-1...)Show SMILES NC(=O)c1ccc2[nH]c(=O)c(cc2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1 Show InChI InChI=1S/C24H24N4O2/c25-23(29)16-5-7-21-18(11-16)12-19(24(30)27-21)22-13-17-10-15(4-6-20(17)26-22)14-28-8-2-1-3-9-28/h4-7,10-13,26H,1-3,8-9,14H2,(H2,25,29)(H,27,30) | 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 | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195197
(6-(isothiazol-4-yl)-3-(5-(piperidin-1-ylmethyl)-1H...)Show SMILES O=c1[nH]c2ccc(cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1)-c1cnsc1 Show InChI InChI=1S/C26H24N4OS/c31-26-22(12-20-11-18(5-7-24(20)29-26)21-14-27-32-16-21)25-13-19-10-17(4-6-23(19)28-25)15-30-8-2-1-3-9-30/h4-7,10-14,16,28H,1-3,8-9,15H2,(H,29,31) | 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 | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195213
(3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)-6-(1H-p...)Show SMILES O=c1[nH]c2ccc(cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C26H25N5O/c32-26-22(12-20-11-18(5-7-24(20)30-26)21-14-27-28-15-21)25-13-19-10-17(4-6-23(19)29-25)16-31-8-2-1-3-9-31/h4-7,10-15,29H,1-3,8-9,16H2,(H,27,28)(H,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195198
(3-(5-((4-(aminomethyl)piperidin-1-yl)methyl)-1H-in...)Show SMILES NCC1CCN(Cc2ccc3[nH]c(cc3c2)-c2cc3cc(ccc3[nH]c2=O)C(N)=O)CC1 Show InChI InChI=1S/C25H27N5O2/c26-13-15-5-7-30(8-6-15)14-16-1-3-21-18(9-16)12-23(28-21)20-11-19-10-17(24(27)31)2-4-22(19)29-25(20)32/h1-4,9-12,15,28H,5-8,13-14,26H2,(H2,27,31)(H,29,32) | 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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195200
(3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)-6-(1H-1...)Show SMILES O=c1[nH]c2ccc(cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1)-n1ccnn1 Show InChI InChI=1S/C25H24N6O/c32-25-21(14-19-13-20(5-7-23(19)28-25)31-11-8-26-29-31)24-15-18-12-17(4-6-22(18)27-24)16-30-9-2-1-3-10-30/h4-8,11-15,27H,1-3,9-10,16H2,(H,28,32) | 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 | 0.740 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195218
(3-(5-(morpholinomethyl)-1H-indol-2-yl)-6-(1H-pyraz...)Show SMILES O=c1[nH]c2ccc(cc2cc1-c1cc2cc(CN3CCOCC3)ccc2[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C25H23N5O2/c31-25-21(11-19-10-17(2-4-23(19)29-25)20-13-26-27-14-20)24-12-18-9-16(1-3-22(18)28-24)15-30-5-7-32-8-6-30/h1-4,9-14,28H,5-8,15H2,(H,26,27)(H,29,31) | 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 | 0.830 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195216
(3-(5-((4-fluoropiperidin-1-yl)methyl)-1H-indol-2-y...)Show SMILES FC1CCN(Cc2ccc3[nH]c(cc3c2)-c2cc3cc(ccc3[nH]c2=O)-c2cn[nH]c2)CC1 Show InChI InChI=1S/C26H24FN5O/c27-21-5-7-32(8-6-21)15-16-1-3-23-18(9-16)12-25(30-23)22-11-19-10-17(20-13-28-29-14-20)2-4-24(19)31-26(22)33/h1-4,9-14,21,30H,5-8,15H2,(H,28,29)(H,31,33) | 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 human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195209
(6-(1-methyl-1H-pyrazol-4-yl)-3-(5-(piperidin-1-ylm...)Show SMILES Cn1cc(cn1)-c1ccc2[nH]c(=O)c(cc2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1 Show InChI InChI=1S/C27H27N5O/c1-31-17-22(15-28-31)19-6-8-25-21(12-19)13-23(27(33)30-25)26-14-20-11-18(5-7-24(20)29-26)16-32-9-3-2-4-10-32/h5-8,11-15,17,29H,2-4,9-10,16H2,1H3,(H,30,33) | 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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195204
(3-(5-((4-(2-methoxyacetyl)piperazin-1-yl)methyl)-1...)Show SMILES COCC(=O)N1CCN(Cc2ccc3[nH]c(cc3c2)-c2cc3cc(ccc3[nH]c2=O)-c2cn[nH]c2)CC1 Show InChI InChI=1S/C28H28N6O3/c1-37-17-27(35)34-8-6-33(7-9-34)16-18-2-4-24-20(10-18)13-26(31-24)23-12-21-11-19(22-14-29-30-15-22)3-5-25(21)32-28(23)36/h2-5,10-15,31H,6-9,16-17H2,1H3,(H,29,30)(H,32,36) | 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 | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195201
(3-(5-((4-acetylpiperazin-1-yl)methyl)-1H-indol-2-y...)Show SMILES CC(=O)N1CCN(Cc2ccc3[nH]c(cc3c2)-c2cc3cc(ccc3[nH]c2=O)-c2cn[nH]c2)CC1 Show InChI InChI=1S/C27H26N6O2/c1-17(34)33-8-6-32(7-9-33)16-18-2-4-24-20(10-18)13-26(30-24)23-12-21-11-19(22-14-28-29-15-22)3-5-25(21)31-27(23)35/h2-5,10-15,30H,6-9,16H2,1H3,(H,28,29)(H,31,35) | 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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195212
(6-bromo-3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)...)Show SMILES Brc1ccc2[nH]c(=O)c(cc2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1 Show InChI InChI=1S/C23H22BrN3O/c24-18-5-7-21-17(11-18)12-19(23(28)26-21)22-13-16-10-15(4-6-20(16)25-22)14-27-8-2-1-3-9-27/h4-7,10-13,25H,1-3,8-9,14H2,(H,26,28) | 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 | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195217
(3-(5-((4-acetylpiperazin-1-yl)methyl)-1H-indol-2-y...)Show SMILES CC(=O)N1CCN(Cc2ccc3[nH]c(cc3c2)-c2cc3cc(ccc3[nH]c2=O)-c2cnn(C)c2)CC1 Show InChI InChI=1S/C28H28N6O2/c1-18(35)34-9-7-33(8-10-34)16-19-3-5-25-21(11-19)14-27(30-25)24-13-22-12-20(23-15-29-32(2)17-23)4-6-26(22)31-28(24)36/h3-6,11-15,17,30H,7-10,16H2,1-2H3,(H,31,36) | 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 human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195196
(3-(5-((4-(aminomethyl)piperidin-1-yl)methyl)-1H-in...)Show SMILES NCC1CCN(Cc2ccc3[nH]c(cc3c2)-c2cc3cc(ccc3[nH]c2=O)C#N)CC1 Show InChI InChI=1S/C25H25N5O/c26-13-16-5-7-30(8-6-16)15-18-2-4-22-20(10-18)12-24(28-22)21-11-19-9-17(14-27)1-3-23(19)29-25(21)31/h1-4,9-12,16,28H,5-8,13,15,26H2,(H,29,31) | 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 human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195199
(6-(1H-imidazol-1-yl)-3-(5-(piperidin-1-ylmethyl)-1...)Show SMILES O=c1[nH]c2ccc(cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1)-n1ccnc1 Show InChI InChI=1S/C26H25N5O/c32-26-22(14-20-13-21(5-7-24(20)29-26)31-11-8-27-17-31)25-15-19-12-18(4-6-23(19)28-25)16-30-9-2-1-3-10-30/h4-8,11-15,17,28H,1-3,9-10,16H2,(H,29,32) | 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 | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195207
(2-oxo-3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)-1...)Show SMILES O=c1[nH]c2ccc(cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1)C#N Show InChI InChI=1S/C24H22N4O/c25-14-16-4-6-22-18(10-16)12-20(24(29)27-22)23-13-19-11-17(5-7-21(19)26-23)15-28-8-2-1-3-9-28/h4-7,10-13,26H,1-3,8-9,15H2,(H,27,29) | 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 | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195214
(3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)-6-(1H-p...)Show SMILES O=c1[nH]c2ccc(cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1)-c1cc[nH]n1 Show InChI InChI=1S/C26H25N5O/c32-26-21(14-20-13-18(5-7-23(20)29-26)24-8-9-27-30-24)25-15-19-12-17(4-6-22(19)28-25)16-31-10-2-1-3-11-31/h4-9,12-15,28H,1-3,10-11,16H2,(H,27,30)(H,29,32) | 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 | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195205
(6-(2-methyl-2H-tetrazol-5-yl)-3-(5-(piperidin-1-yl...)Show SMILES Cn1nnc(n1)-c1ccc2[nH]c(=O)c(cc2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1 Show InChI InChI=1S/C25H25N7O/c1-31-29-24(28-30-31)17-6-8-22-19(12-17)13-20(25(33)27-22)23-14-18-11-16(5-7-21(18)26-23)15-32-9-3-2-4-10-32/h5-8,11-14,26H,2-4,9-10,15H2,1H3,(H,27,33) | 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 | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195215
(3-(5-((4-(aminomethyl)piperidin-1-yl)methyl)-1H-in...)Show SMILES NCC1CCN(Cc2ccc3[nH]c(cc3c2)-c2n[nH]c3cc(ccc23)C#N)CC1 Show InChI InChI=1S/C23H24N6/c24-12-15-5-7-29(8-6-15)14-17-2-4-20-18(9-17)11-22(26-20)23-19-3-1-16(13-25)10-21(19)27-28-23/h1-4,9-11,15,26H,5-8,12,14,24H2,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195202
(3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)-6-(2H-1...)Show SMILES O=c1[nH]c2ccc(cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1)-n1nccn1 Show InChI InChI=1S/C25H24N6O/c32-25-21(14-19-13-20(5-7-23(19)29-25)31-26-8-9-27-31)24-15-18-12-17(4-6-22(18)28-24)16-30-10-2-1-3-11-30/h4-9,12-15,28H,1-3,10-11,16H2,(H,29,32) | 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 human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195210
(6-(4-hydroxy-3-methoxyphenyl)-3-(5-(piperidin-1-yl...)Show SMILES COc1cc(ccc1O)-c1ccc2[nH]c(=O)c(cc2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1 Show InChI InChI=1S/C30H29N3O3/c1-36-29-17-21(7-10-28(29)34)20-6-9-26-23(14-20)15-24(30(35)32-26)27-16-22-13-19(5-8-25(22)31-27)18-33-11-3-2-4-12-33/h5-10,13-17,31,34H,2-4,11-12,18H2,1H3,(H,32,35) | 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 human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195208
(6-(3-hydroxyphenyl)-3-(5-(piperidin-1-ylmethyl)-1H...)Show SMILES Oc1cccc(c1)-c1ccc2[nH]c(=O)c(cc2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1 Show InChI InChI=1S/C29H27N3O2/c33-24-6-4-5-20(15-24)21-8-10-27-23(14-21)16-25(29(34)31-27)28-17-22-13-19(7-9-26(22)30-28)18-32-11-2-1-3-12-32/h4-10,13-17,30,33H,1-3,11-12,18H2,(H,31,34) | 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 | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195206
(3-(5-((4-(aminomethyl)piperidin-1-yl)methyl)-1H-in...)Show SMILES NCC1CCN(Cc2ccc3[nH]c(cc3c2)-c2cc3ccccc3[nH]c2=O)CC1 Show InChI InChI=1S/C24H26N4O/c25-14-16-7-9-28(10-8-16)15-17-5-6-22-19(11-17)13-23(26-22)20-12-18-3-1-2-4-21(18)27-24(20)29/h1-6,11-13,16,26H,7-10,14-15,25H2,(H,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195203
(3-(5-((4-(aminomethyl)piperidin-1-yl)methyl)-1H-in...)Show SMILES NCC1CCN(Cc2ccc3[nH]c(cc3c2)-c2cc3ccc(cc3[nH]c2=O)C#N)CC1 Show InChI InChI=1S/C25H25N5O/c26-13-16-5-7-30(8-6-16)15-18-2-4-22-20(9-18)12-24(28-22)21-11-19-3-1-17(14-27)10-23(19)29-25(21)31/h1-4,9-12,16,28H,5-8,13,15,26H2,(H,29,31) | 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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195219
(3-(5-((4-(aminomethyl)piperidin-1-yl)methyl)-1H-in...)Show SMILES NCC1CCN(Cc2ccc3[nH]c(cc3c2)-c2cc3c(cccc3[nH]c2=O)C#N)CC1 Show InChI InChI=1S/C25H25N5O/c26-13-16-6-8-30(9-7-16)15-17-4-5-22-19(10-17)11-24(28-22)21-12-20-18(14-27)2-1-3-23(20)29-25(21)31/h1-5,10-12,16,28H,6-9,13,15,26H2,(H,29,31) | 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 | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM5328
(2-quinolinone deriv. 3 | 3-(1H-indol-2-yl)-1,2-dih...)Show InChI InChI=1S/C17H12N2O/c20-17-13(9-11-5-1-4-8-15(11)19-17)16-10-12-6-2-3-7-14(12)18-16/h1-10,18H,(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CHEK1 |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195210
(6-(4-hydroxy-3-methoxyphenyl)-3-(5-(piperidin-1-yl...)Show SMILES COc1cc(ccc1O)-c1ccc2[nH]c(=O)c(cc2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1 Show InChI InChI=1S/C30H29N3O3/c1-36-29-17-21(7-10-28(29)34)20-6-9-26-23(14-20)15-24(30(35)32-26)27-16-22-13-19(5-8-25(22)31-27)18-33-11-3-2-4-12-33/h5-10,13-17,31,34H,2-4,11-12,18H2,1H3,(H,32,35) | 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 | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Release of camptothecin-induced cell cycle arrest in NCI-H1299 cells mediated by CHEK1 inhibition |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195214
(3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)-6-(1H-p...)Show SMILES O=c1[nH]c2ccc(cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1)-c1cc[nH]n1 Show InChI InChI=1S/C26H25N5O/c32-26-21(14-20-13-18(5-7-23(20)29-26)24-8-9-27-30-24)25-15-19-12-17(4-6-22(19)28-25)16-31-10-2-1-3-11-31/h4-9,12-15,28H,1-3,10-11,16H2,(H,27,30)(H,29,32) | 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 | n/a | n/a | 250 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Release of camptothecin-induced cell cycle arrest in NCI-H1299 cells mediated by CHEK1 inhibition |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195217
(3-(5-((4-acetylpiperazin-1-yl)methyl)-1H-indol-2-y...)Show SMILES CC(=O)N1CCN(Cc2ccc3[nH]c(cc3c2)-c2cc3cc(ccc3[nH]c2=O)-c2cnn(C)c2)CC1 Show InChI InChI=1S/C28H28N6O2/c1-18(35)34-9-7-33(8-10-34)16-19-3-5-25-21(11-19)14-27(30-25)24-13-22-12-20(23-15-29-32(2)17-23)4-6-26(22)31-28(24)36/h3-6,11-15,17,30H,7-10,16H2,1-2H3,(H,31,36) | 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 | n/a | n/a | 420 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Release of camptothecin-induced cell cycle arrest in NCI-H1299 cells mediated by CHEK1 inhibition |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195208
(6-(3-hydroxyphenyl)-3-(5-(piperidin-1-ylmethyl)-1H...)Show SMILES Oc1cccc(c1)-c1ccc2[nH]c(=O)c(cc2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1 Show InChI InChI=1S/C29H27N3O2/c33-24-6-4-5-20(15-24)21-8-10-27-23(14-21)16-25(29(34)31-27)28-17-22-13-19(7-9-26(22)30-28)18-32-11-2-1-3-12-32/h4-10,13-17,30,33H,1-3,11-12,18H2,(H,31,34) | 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 | n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Release of camptothecin-induced cell cycle arrest in NCI-H1299 cells mediated by CHEK1 inhibition |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195197
(6-(isothiazol-4-yl)-3-(5-(piperidin-1-ylmethyl)-1H...)Show SMILES O=c1[nH]c2ccc(cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1)-c1cnsc1 Show InChI InChI=1S/C26H24N4OS/c31-26-22(12-20-11-18(5-7-24(20)29-26)21-14-27-32-16-21)25-13-19-10-17(4-6-23(19)28-25)15-30-8-2-1-3-9-30/h4-7,10-14,16,28H,1-3,8-9,15H2,(H,29,31) | 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 | n/a | n/a | 190 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Release of camptothecin-induced cell cycle arrest in NCI-H1299 cells mediated by CHEK1 inhibition |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195216
(3-(5-((4-fluoropiperidin-1-yl)methyl)-1H-indol-2-y...)Show SMILES FC1CCN(Cc2ccc3[nH]c(cc3c2)-c2cc3cc(ccc3[nH]c2=O)-c2cn[nH]c2)CC1 Show InChI InChI=1S/C26H24FN5O/c27-21-5-7-32(8-6-21)15-16-1-3-23-18(9-16)12-25(30-23)22-11-19-10-17(20-13-28-29-14-20)2-4-24(19)31-26(22)33/h1-4,9-14,21,30H,5-8,15H2,(H,28,29)(H,31,33) | 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 | n/a | n/a | 120 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Release of camptothecin-induced cell cycle arrest in NCI-H1299 cells mediated by CHEK1 inhibition |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195202
(3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)-6-(2H-1...)Show SMILES O=c1[nH]c2ccc(cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1)-n1nccn1 Show InChI InChI=1S/C25H24N6O/c32-25-21(14-19-13-20(5-7-23(19)29-25)31-26-8-9-27-31)24-15-18-12-17(4-6-22(18)28-24)16-30-10-2-1-3-11-30/h4-9,12-15,28H,1-3,10-11,16H2,(H,29,32) | 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 | n/a | n/a | 880 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Release of camptothecin-induced cell cycle arrest in NCI-H1299 cells mediated by CHEK1 inhibition |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195212
(6-bromo-3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)...)Show SMILES Brc1ccc2[nH]c(=O)c(cc2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1 Show InChI InChI=1S/C23H22BrN3O/c24-18-5-7-21-17(11-18)12-19(23(28)26-21)22-13-16-10-15(4-6-20(16)25-22)14-27-8-2-1-3-9-27/h4-7,10-13,25H,1-3,8-9,14H2,(H,26,28) | 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 | n/a | n/a | 460 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Release of camptothecin-induced cell cycle arrest in NCI-H1299 cells mediated by CHEK1 inhibition |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195199
(6-(1H-imidazol-1-yl)-3-(5-(piperidin-1-ylmethyl)-1...)Show SMILES O=c1[nH]c2ccc(cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1)-n1ccnc1 Show InChI InChI=1S/C26H25N5O/c32-26-22(14-20-13-21(5-7-24(20)29-26)31-11-8-27-17-31)25-15-19-12-18(4-6-23(19)28-25)16-30-9-2-1-3-10-30/h4-8,11-15,17,28H,1-3,9-10,16H2,(H,29,32) | 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 | n/a | n/a | 320 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Release of camptothecin-induced cell cycle arrest in NCI-H1299 cells mediated by CHEK1 inhibition |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195198
(3-(5-((4-(aminomethyl)piperidin-1-yl)methyl)-1H-in...)Show SMILES NCC1CCN(Cc2ccc3[nH]c(cc3c2)-c2cc3cc(ccc3[nH]c2=O)C(N)=O)CC1 Show InChI InChI=1S/C25H27N5O2/c26-13-15-5-7-30(8-6-15)14-16-1-3-21-18(9-16)12-23(28-21)20-11-19-10-17(24(27)31)2-4-22(19)29-25(20)32/h1-4,9-12,15,28H,5-8,13-14,26H2,(H2,27,31)(H,29,32) | 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 | n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Release of camptothecin-induced cell cycle arrest in NCI-H1299 cells mediated by CHEK1 inhibition |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195196
(3-(5-((4-(aminomethyl)piperidin-1-yl)methyl)-1H-in...)Show SMILES NCC1CCN(Cc2ccc3[nH]c(cc3c2)-c2cc3cc(ccc3[nH]c2=O)C#N)CC1 Show InChI InChI=1S/C25H25N5O/c26-13-16-5-7-30(8-6-16)15-18-2-4-22-20(10-18)12-24(28-22)21-11-19-9-17(14-27)1-3-23(19)29-25(21)31/h1-4,9-12,16,28H,5-8,13,15,26H2,(H,29,31) | 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 | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Release of camptothecin-induced cell cycle arrest in NCI-H1299 cells mediated by CHEK1 inhibition |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195207
(2-oxo-3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)-1...)Show SMILES O=c1[nH]c2ccc(cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1)C#N Show InChI InChI=1S/C24H22N4O/c25-14-16-4-6-22-18(10-16)12-20(24(29)27-22)23-13-19-11-17(5-7-21(19)26-23)15-28-8-2-1-3-9-28/h4-7,10-13,26H,1-3,8-9,15H2,(H,27,29) | 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 | n/a | n/a | 170 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Release of camptothecin-induced cell cycle arrest in NCI-H1299 cells mediated by CHEK1 inhibition |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195209
(6-(1-methyl-1H-pyrazol-4-yl)-3-(5-(piperidin-1-ylm...)Show SMILES Cn1cc(cn1)-c1ccc2[nH]c(=O)c(cc2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1 Show InChI InChI=1S/C27H27N5O/c1-31-17-22(15-28-31)19-6-8-25-21(12-19)13-23(27(33)30-25)26-14-20-11-18(5-7-24(20)29-26)16-32-9-3-2-4-10-32/h5-8,11-15,17,29H,2-4,9-10,16H2,1H3,(H,30,33) | 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 | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Release of camptothecin-induced cell cycle arrest in NCI-H1299 cells mediated by CHEK1 inhibition |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195213
(3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)-6-(1H-p...)Show SMILES O=c1[nH]c2ccc(cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C26H25N5O/c32-26-22(12-20-11-18(5-7-24(20)30-26)21-14-27-28-15-21)25-13-19-10-17(4-6-23(19)29-25)16-31-8-2-1-3-9-31/h4-7,10-15,29H,1-3,8-9,16H2,(H,27,28)(H,30,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 97 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Release of camptothecin-induced cell cycle arrest in NCI-H1299 cells mediated by CHEK1 inhibition |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195218
(3-(5-(morpholinomethyl)-1H-indol-2-yl)-6-(1H-pyraz...)Show SMILES O=c1[nH]c2ccc(cc2cc1-c1cc2cc(CN3CCOCC3)ccc2[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C25H23N5O2/c31-25-21(11-19-10-17(2-4-23(19)29-25)20-13-26-27-14-20)24-12-18-9-16(1-3-22(18)28-24)15-30-5-7-32-8-6-30/h1-4,9-14,28H,5-8,15H2,(H,26,27)(H,29,31) | 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 | n/a | n/a | 170 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Release of camptothecin-induced cell cycle arrest in NCI-H1299 cells mediated by CHEK1 inhibition |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195200
(3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)-6-(1H-1...)Show SMILES O=c1[nH]c2ccc(cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1)-n1ccnn1 Show InChI InChI=1S/C25H24N6O/c32-25-21(14-19-13-20(5-7-23(19)28-25)31-11-8-26-29-31)24-15-18-12-17(4-6-22(18)27-24)16-30-9-2-1-3-10-30/h4-8,11-15,27H,1-3,9-10,16H2,(H,28,32) | 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 | n/a | n/a | 230 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Release of camptothecin-induced cell cycle arrest in NCI-H1299 cells mediated by CHEK1 inhibition |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195201
(3-(5-((4-acetylpiperazin-1-yl)methyl)-1H-indol-2-y...)Show SMILES CC(=O)N1CCN(Cc2ccc3[nH]c(cc3c2)-c2cc3cc(ccc3[nH]c2=O)-c2cn[nH]c2)CC1 Show InChI InChI=1S/C27H26N6O2/c1-17(34)33-8-6-32(7-9-33)16-18-2-4-24-20(10-18)13-26(30-24)23-12-21-11-19(22-14-28-29-15-22)3-5-25(21)31-27(23)35/h2-5,10-15,30H,6-9,16H2,1H3,(H,28,29)(H,31,35) | 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 | n/a | n/a | 870 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Release of camptothecin-induced cell cycle arrest in NCI-H1299 cells mediated by CHEK1 inhibition |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195204
(3-(5-((4-(2-methoxyacetyl)piperazin-1-yl)methyl)-1...)Show SMILES COCC(=O)N1CCN(Cc2ccc3[nH]c(cc3c2)-c2cc3cc(ccc3[nH]c2=O)-c2cn[nH]c2)CC1 Show InChI InChI=1S/C28H28N6O3/c1-37-17-27(35)34-8-6-33(7-9-34)16-18-2-4-24-20(10-18)13-26(31-24)23-12-21-11-19(22-14-29-30-15-22)3-5-25(21)32-28(23)36/h2-5,10-15,31H,6-9,16-17H2,1H3,(H,29,30)(H,32,36) | 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 | n/a | n/a | 1.14E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Release of camptothecin-induced cell cycle arrest in NCI-H1299 cells mediated by CHEK1 inhibition |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195205
(6-(2-methyl-2H-tetrazol-5-yl)-3-(5-(piperidin-1-yl...)Show SMILES Cn1nnc(n1)-c1ccc2[nH]c(=O)c(cc2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1 Show InChI InChI=1S/C25H25N7O/c1-31-29-24(28-30-31)17-6-8-22-19(12-17)13-20(25(33)27-22)23-14-18-11-16(5-7-21(18)26-23)15-32-9-3-2-4-10-32/h5-8,11-14,26H,2-4,9-10,15H2,1H3,(H,27,33) | 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 | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Release of camptothecin-induced cell cycle arrest in NCI-H1299 cells mediated by CHEK1 inhibition |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50195211
(2-oxo-3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)-1...)Show SMILES NC(=O)c1ccc2[nH]c(=O)c(cc2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1 Show InChI InChI=1S/C24H24N4O2/c25-23(29)16-5-7-21-18(11-16)12-19(24(30)27-21)22-13-17-10-15(4-6-20(17)26-22)14-28-8-2-1-3-9-28/h4-7,10-13,26H,1-3,8-9,14H2,(H2,25,29)(H,27,30) | 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 | n/a | n/a | 520 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Release of camptothecin-induced cell cycle arrest in NCI-H1299 cells mediated by CHEK1 inhibition |
Bioorg Med Chem Lett 16: 5907-12 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.053
BindingDB Entry DOI: 10.7270/Q27H1J73 |
More data for this
Ligand-Target Pair | |
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