BDBM50433763 CHEMBL2381611
SMILES: NC(=O)c1ncc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc(Cl)cc1
InChI Key: InChIKey=VUQDZGWRLHHYTB-ZDUSSCGKSA-N
Data: 2 IC50
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50433763 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 |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50433763
(CHEMBL2381611)Show SMILES NC(=O)c1ncc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H19ClN6O/c19-12-5-3-11(4-6-12)15-10-25-17(24-15)14(9-22-18(25)16(20)26)23-13-2-1-7-21-8-13/h3-6,9-10,13,21,23H,1-2,7-8H2,(H2,20,26)/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 18 | 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 | 3D Structure (crystal) |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50433763
(CHEMBL2381611)Show SMILES NC(=O)c1ncc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H19ClN6O/c19-12-5-3-11(4-6-12)15-10-25-17(24-15)14(9-22-18(25)16(20)26)23-13-2-1-7-21-8-13/h3-6,9-10,13,21,23H,1-2,7-8H2,(H2,20,26)/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 840 | 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 | |