BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 13 hits of non-affinity data for polymerid = 4500   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM33202
PNG
(benzisoxazole, 1)
Show SMILES Fc1ccc(cc1)-c1onc2ccc(cc12)-c1cc[nH]n1
Show InChI InChI=1S/C16H10FN3O/c17-12-4-1-10(2-5-12)16-13-9-11(14-7-8-18-19-14)3-6-15(13)20-21-16/h1-9H,(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
AlphaScreen (PerkinElmer Life Sciences, Inc) was performed in opaque 384-well polypropylene plates. The assay relies on hydrogel coated Donor and Acc...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM33203
PNG
(quinazolinone, 2)
Show SMILES CCCNc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C11H13N3O/c1-2-7-12-11-13-9-6-4-3-5-8(9)10(15)14-11/h3-6H,2,7H2,1H3,(H2,12,13,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
AlphaScreen (PerkinElmer Life Sciences, Inc) was performed in opaque 384-well polypropylene plates. The assay relies on hydrogel coated Donor and Acc...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM33204
PNG
(N-phenylquinazolin-4-amine, 3)
Show SMILES Clc1ccc2c(Nc3ccccc3)ncnc2c1
Show InChI InChI=1S/C14H10ClN3/c15-10-6-7-12-13(8-10)16-9-17-14(12)18-11-4-2-1-3-5-11/h1-9H,(H,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
AlphaScreen (PerkinElmer Life Sciences, Inc) was performed in opaque 384-well polypropylene plates. The assay relies on hydrogel coated Donor and Acc...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM33205
PNG
(N-(3-methoxybenzyl)quinazolin-4-amine, 4)
Show SMILES COc1cccc(CNc2ncnc3cc(OC)c(OC)cc23)c1
Show InChI InChI=1S/C18H19N3O3/c1-22-13-6-4-5-12(7-13)10-19-18-14-8-16(23-2)17(24-3)9-15(14)20-11-21-18/h4-9,11H,10H2,1-3H3,(H,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
AlphaScreen (PerkinElmer Life Sciences, Inc) was performed in opaque 384-well polypropylene plates. The assay relies on hydrogel coated Donor and Acc...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM33206
PNG
(thiazoloazepinyl acetamide, 5)
Show SMILES CC(=O)Nc1nc2CCCNC(=O)c2s1
Show InChI InChI=1S/C9H11N3O2S/c1-5(13)11-9-12-6-3-2-4-10-8(14)7(6)15-9/h2-4H2,1H3,(H,10,14)(H,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
AlphaScreen (PerkinElmer Life Sciences, Inc) was performed in opaque 384-well polypropylene plates. The assay relies on hydrogel coated Donor and Acc...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM33207
PNG
(benzothienopyrimidinone, 6)
Show SMILES O=c1[nH]cnc2sc3CCCCc3c12
Show InChI InChI=1S/C10H10N2OS/c13-9-8-6-3-1-2-4-7(6)14-10(8)12-5-11-9/h5H,1-4H2,(H,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/an/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
AlphaScreen (PerkinElmer Life Sciences, Inc) was performed in opaque 384-well polypropylene plates. The assay relies on hydrogel coated Donor and Acc...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM33209
PNG
(2-methylsulfanyl imidazol-4-one, 8)
Show SMILES CSC1=N\C(=C/c2cccs2)C(=O)N1
Show InChI InChI=1S/C9H8N2OS2/c1-13-9-10-7(8(12)11-9)5-6-3-2-4-14-6/h2-5H,1H3,(H,10,11,12)/b7-5-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
CHK kinase function was measured in a DELFIA assay in order to monitor phosphorylation of a CDC25C peptide using a specific phospho antibody. The enz...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM33209
PNG
(2-methylsulfanyl imidazol-4-one, 8)
Show SMILES CSC1=N\C(=C/c2cccs2)C(=O)N1
Show InChI InChI=1S/C9H8N2OS2/c1-13-9-10-7(8(12)11-9)5-6-3-2-4-14-6/h2-5H,1H3,(H,10,11,12)/b7-5-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
AlphaScreen (PerkinElmer Life Sciences, Inc) was performed in opaque 384-well polypropylene plates. The assay relies on hydrogel coated Donor and Acc...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM33210
PNG
(4-(7H-purin-6-yl)morpholine | purine, 9)
Show SMILES C1CN(CCO1)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C9H11N5O/c1-3-15-4-2-14(1)9-7-8(11-5-10-7)12-6-13-9/h5-6H,1-4H2,(H,10,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/an/an/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
AlphaScreen (PerkinElmer Life Sciences, Inc) was performed in opaque 384-well polypropylene plates. The assay relies on hydrogel coated Donor and Acc...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM33203
PNG
(quinazolinone, 2)
Show SMILES CCCNc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C11H13N3O/c1-2-7-12-11-13-9-6-4-3-5-8(9)10(15)14-11/h3-6H,2,7H2,1H3,(H2,12,13,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
CHK kinase function was measured in a DELFIA assay in order to monitor phosphorylation of a CDC25C peptide using a specific phospho antibody. The enz...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM33206
PNG
(thiazoloazepinyl acetamide, 5)
Show SMILES CC(=O)Nc1nc2CCCNC(=O)c2s1
Show InChI InChI=1S/C9H11N3O2S/c1-5(13)11-9-12-6-3-2-4-10-8(14)7(6)15-9/h2-4H2,1H3,(H,10,14)(H,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
CHK kinase function was measured in a DELFIA assay in order to monitor phosphorylation of a CDC25C peptide using a specific phospho antibody. The enz...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM33208
PNG
(thiazole, 7)
Show SMILES CC(C)(C)Nc1nc(N)c(s1)C(=O)c1ccccc1
Show InChI InChI=1S/C14H17N3OS/c1-14(2,3)17-13-16-12(15)11(19-13)10(18)9-7-5-4-6-8-9/h4-8H,15H2,1-3H3,(H,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/an/an/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
CHK kinase function was measured in a DELFIA assay in order to monitor phosphorylation of a CDC25C peptide using a specific phospho antibody. The enz...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM33208
PNG
(thiazole, 7)
Show SMILES CC(C)(C)Nc1nc(N)c(s1)C(=O)c1ccccc1
Show InChI InChI=1S/C14H17N3OS/c1-14(2,3)17-13-16-12(15)11(19-13)10(18)9-7-5-4-6-8-9/h4-8H,15H2,1-3H3,(H,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/an/an/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
AlphaScreen (PerkinElmer Life Sciences, Inc) was performed in opaque 384-well polypropylene plates. The assay relies on hydrogel coated Donor and Acc...


J Med Chem 52: 4810-9 (2009)


Article DOI: 10.1021/jm900314j
BindingDB Entry DOI: 10.7270/Q27W69KC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)