BDBM50390773 CHEMBL2070491
SMILES: CCOc1ccc(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)C)s1
InChI Key: InChIKey=QKLYMIBONIYYAF-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50390773 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 |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50390773
(CHEMBL2070491)Show SMILES CCOc1ccc(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)C)s1 Show InChI InChI=1S/C22H21ClN6OS/c1-4-30-14-5-6-15(16(23)9-14)17-10-18(20-12-26-22(31-20)27-13(2)3)29-21(28-17)19-11-24-7-8-25-19/h5-13H,4H2,1-3H3,(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of MAPK p38alpha |
Bioorg Med Chem Lett 22: 5995-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.002 BindingDB Entry DOI: 10.7270/Q2K075CJ |
More data for this Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50390773
(CHEMBL2070491)Show SMILES CCOc1ccc(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)C)s1 Show InChI InChI=1S/C22H21ClN6OS/c1-4-30-14-5-6-15(16(23)9-14)17-10-18(20-12-26-22(31-20)27-13(2)3)29-21(28-17)19-11-24-7-8-25-19/h5-13H,4H2,1-3H3,(H,26,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 368 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of LIMK1 |
Bioorg Med Chem Lett 22: 5995-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.002 BindingDB Entry DOI: 10.7270/Q2K075CJ |
More data for this Ligand-Target Pair | |