BindingDB logo
myBDB logout

23 similar compounds to monomer 50229969

Compile data set for download or QSAR
Wt: 279.2
BDBM50230828
Purchase
Wt: 373.4
BDBM50243470
Wt: 414.5
BDBM50243471
Wt: 304.3
BDBM50243330
Wt: 358.4
BDBM50243331
Wt: 334.3
BDBM50243334
Wt: 379.4
BDBM50243371
Wt: 335.3
BDBM50243372
Wt: 337.3
BDBM50243532
Wt: 305.3
BDBM50243582
Wt: 318.3
BDBM50243620
Wt: 351.4
BDBM50243533
Wt: 344.4
BDBM50243583
Wt: 304.3
BDBM50243584
Wt: 318.3
BDBM50243585
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50230828,50243470,50243471,50243330,50243331,50243334,50243371,50243372,50243532,50243582,50243620,50243533,50243583,50243584,50243585   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50230828
PNG
(5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


J Med Chem 51: 7898-914 (2008)


Article DOI: 10.1021/jm8011036
BindingDB Entry DOI: 10.7270/Q2WS8T4C
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50230828
PNG
(5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



University of Aberdeen

Curated by ChEMBL


Assay Description
Inhibition of IKK beta at 300 uM by K-ELISA


J Nat Prod 71: 106-11 (2008)


Article DOI: 10.1021/np070290y
BindingDB Entry DOI: 10.7270/Q2B858Z7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM50243330
PNG
(1-(3-carbamoyl-5-(4-((methylamino)methyl)phenyl)th...)
Show SMILES CNCc1ccc(cc1)-c1cc(C(N)=O)c(NC(N)=O)s1
Show InChI InChI=1S/C14H16N4O2S/c1-17-7-8-2-4-9(5-3-8)11-6-10(12(15)19)13(21-11)18-14(16)20/h2-6,17H,7H2,1H3,(H2,15,19)(H3,16,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>300n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM50243331
PNG
(1-(3-carbamoyl-5-(4-(piperidin-1-ylmethyl)phenyl)t...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C18H22N4O2S/c19-16(23)14-10-15(25-17(14)21-18(20)24)13-6-4-12(5-7-13)11-22-8-2-1-3-9-22/h4-7,10H,1-3,8-9,11H2,(H2,19,23)(H3,20,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 37n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM50243334
PNG
(1-(3-carbamoyl-5-(4-(2-(methylamino)ethoxy)phenyl)...)
Show SMILES CNCCOc1ccc(cc1)-c1cc(C(N)=O)c(NC(N)=O)s1
Show InChI InChI=1S/C15H18N4O3S/c1-18-6-7-22-10-4-2-9(3-5-10)12-8-11(13(16)20)14(23-12)19-15(17)21/h2-5,8,18H,6-7H2,1H3,(H2,16,20)(H3,17,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 360n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM50243582
PNG
(1-(3-((2-hydroxyethyl)carbamoyl)-5-phenylthiophen-...)
Show SMILES NC(=O)Nc1sc(cc1C(=O)NCCO)-c1ccccc1
Show InChI InChI=1S/C14H15N3O3S/c15-14(20)17-13-10(12(19)16-6-7-18)8-11(21-13)9-4-2-1-3-5-9/h1-5,8,18H,6-7H2,(H,16,19)(H3,15,17,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM50243585
PNG
(1-(3-((2-(methylamino)ethyl)carbamoyl)-5-phenylthi...)
Show SMILES CNCCNC(=O)c1cc(sc1NC(N)=O)-c1ccccc1
Show InChI InChI=1S/C15H18N4O2S/c1-17-7-8-18-13(20)11-9-12(10-5-3-2-4-6-10)22-14(11)19-15(16)21/h2-6,9,17H,7-8H2,1H3,(H,18,20)(H3,16,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM50243583
PNG
(1-(3-(1-methylpiperazine-4-carbonyl)-5-phenylthiop...)
Show SMILES CN1CCN(CC1)C(=O)c1cc(sc1NC(N)=O)-c1ccccc1
Show InChI InChI=1S/C17H20N4O2S/c1-20-7-9-21(10-8-20)16(22)13-11-14(12-5-3-2-4-6-12)24-15(13)19-17(18)23/h2-6,11H,7-10H2,1H3,(H3,18,19,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.10E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM50243584
PNG
(1-(3-((2-aminoethyl)carbamoyl)-5-phenylthiophen-2-...)
Show SMILES NCCNC(=O)c1cc(sc1NC(N)=O)-c1ccccc1
Show InChI InChI=1S/C14H16N4O2S/c15-6-7-17-12(19)10-8-11(9-4-2-1-3-5-9)21-13(10)18-14(16)20/h1-5,8H,6-7,15H2,(H,17,19)(H3,16,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM50243532
PNG
(1-(5-phenyl-3-(phenylcarbamoyl)thiophen-2-yl)urea ...)
Show SMILES NC(=O)Nc1sc(cc1C(=O)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O2S/c19-18(23)21-17-14(16(22)20-13-9-5-2-6-10-13)11-15(24-17)12-7-3-1-4-8-12/h1-11H,(H,20,22)(H3,19,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM50243533
PNG
(1-(3-(benzylcarbamoyl)-5-phenylthiophen-2-yl)urea ...)
Show SMILES NC(=O)Nc1sc(cc1C(=O)NCc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H17N3O2S/c20-19(24)22-18-15(11-16(25-18)14-9-5-2-6-10-14)17(23)21-12-13-7-3-1-4-8-13/h1-11H,12H2,(H,21,23)(H3,20,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM50243471
PNG
(1-(3-carbamoyl-5-(4-((2,2,6,6-tetramethylpiperidin...)
Show SMILES CC1(C)CCCC(C)(C)N1Cc1ccc(cc1)-c1cc(C(N)=O)c(NC(N)=O)s1
Show InChI InChI=1S/C22H30N4O2S/c1-21(2)10-5-11-22(3,4)26(21)13-14-6-8-15(9-7-14)17-12-16(18(23)27)19(29-17)25-20(24)28/h6-9,12H,5,10-11,13H2,1-4H3,(H2,23,27)(H3,24,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM50243470
PNG
(1-(3-carbamoyl-5-(4-((4-methylpiperazin-1-yl)methy...)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cc(C(N)=O)c(NC(N)=O)s2)CC1
Show InChI InChI=1S/C18H23N5O2S/c1-22-6-8-23(9-7-22)11-12-2-4-13(5-3-12)15-10-14(16(19)24)17(26-15)21-18(20)25/h2-5,10H,6-9,11H2,1H3,(H2,19,24)(H3,20,21,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 41n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM50243372
PNG
(1-(3-carbamoyl-5-(4-(2-methoxyethoxy)phenyl)thioph...)
Show SMILES COCCOc1ccc(cc1)-c1cc(C(N)=O)c(NC(N)=O)s1
Show InChI InChI=1S/C15H17N3O4S/c1-21-6-7-22-10-4-2-9(3-5-10)12-8-11(13(16)19)14(23-12)18-15(17)20/h2-5,8H,6-7H2,1H3,(H2,16,19)(H3,17,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.70E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM50243371
PNG
(1-(3-carbamoyl-5-(4-(2-(2-methoxyethoxy)ethoxy)phe...)
Show SMILES COCCOCCOc1ccc(cc1)-c1cc(C(N)=O)c(NC(N)=O)s1
Show InChI InChI=1S/C17H21N3O5S/c1-23-6-7-24-8-9-25-12-4-2-11(3-5-12)14-10-13(15(18)21)16(26-14)20-17(19)22/h2-5,10H,6-9H2,1H3,(H2,18,21)(H3,19,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50230828
PNG
(5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 22n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human JAK2


J Med Chem 51: 7898-914 (2008)


Article DOI: 10.1021/jm8011036
BindingDB Entry DOI: 10.7270/Q2WS8T4C
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50230828
PNG
(5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta


J Med Chem 51: 7898-914 (2008)


Article DOI: 10.1021/jm8011036
BindingDB Entry DOI: 10.7270/Q2WS8T4C
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50230828
PNG
(5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta (unknown origin) by TR-FRET assay


Bioorg Med Chem 17: 2759-66 (2009)


Article DOI: 10.1016/j.bmc.2009.02.041
BindingDB Entry DOI: 10.7270/Q2MW2H1K
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM50230828
PNG
(5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Weill Cornell Medical College

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay


Bioorg Med Chem Lett 21: 4108-14 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.149
BindingDB Entry DOI: 10.7270/Q2KK9C4H
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50230828
PNG
(5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 19.9n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta


Bioorg Med Chem Lett 21: 2255-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.107
BindingDB Entry DOI: 10.7270/Q2GF0VS3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM50243620
PNG
(1-(3-((2-aminoethyl)(methyl)carbamoyl)-5-phenylthi...)
Show SMILES CN(CCN)C(=O)c1cc(sc1NC(N)=O)-c1ccccc1
Show InChI InChI=1S/C15H18N4O2S/c1-19(8-7-16)14(20)11-9-12(10-5-3-2-4-6-10)22-13(11)18-15(17)21/h2-6,9H,7-8,16H2,1H3,(H3,17,18,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair