BDBM50433759 CHEMBL2381598
SMILES: NC(=O)c1cnc(NC2CCNCC2)c2nc(cn12)-c1ccc(Cl)cc1
InChI Key: InChIKey=UIBANLKKSQACJD-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50433759 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50433759
(CHEMBL2381598)Show SMILES NC(=O)c1cnc(NC2CCNCC2)c2nc(cn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H19ClN6O/c19-12-3-1-11(2-4-12)14-10-25-15(16(20)26)9-22-17(18(25)24-14)23-13-5-7-21-8-6-13/h1-4,9-10,13,21H,5-8H2,(H2,20,26)(H,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MK2 |
Bioorg Med Chem Lett 23: 2863-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.100
BindingDB Entry DOI: 10.7270/Q2Z60QFW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50433759
(CHEMBL2381598)Show SMILES NC(=O)c1cnc(NC2CCNCC2)c2nc(cn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H19ClN6O/c19-12-3-1-11(2-4-12)14-10-25-15(16(20)26)9-22-17(18(25)24-14)23-13-5-7-21-8-6-13/h1-4,9-10,13,21H,5-8H2,(H2,20,26)(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 (unknown origin) |
Bioorg Med Chem Lett 23: 2863-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.100
BindingDB Entry DOI: 10.7270/Q2Z60QFW |
More data for this
Ligand-Target Pair | |
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