BDBM50420739 CHEMBL2087500
SMILES: Cc1ccc(cc1-c1ccn2c(nnc2c1)C(C)(C)C)C(=O)NC1CC1
InChI Key: InChIKey=QOUXRSOLEJEKEB-UHFFFAOYSA-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 = 50420739 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 13 (MAPK13)
(Homo sapiens (Human)) | BDBM50420739
(CHEMBL2087500)Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)C(C)(C)C)C(=O)NC1CC1 Show InChI InChI=1S/C21H24N4O/c1-13-5-6-15(19(26)22-16-7-8-16)11-17(13)14-9-10-25-18(12-14)23-24-20(25)21(2,3)4/h5-6,9-12,16H,7-8H2,1-4H3,(H,22,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of p38alpha |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099 BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50420739
(CHEMBL2087500)Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)C(C)(C)C)C(=O)NC1CC1 Show InChI InChI=1S/C21H24N4O/c1-13-5-6-15(19(26)22-16-7-8-16)11-17(13)14-9-10-25-18(12-14)23-24-20(25)21(2,3)4/h5-6,9-12,16H,7-8H2,1-4H3,(H,22,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer
Curated by ChEMBL
| Assay Description Inhibition of c-Raf |
Bioorg Med Chem Lett 22: 3431-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.099 BindingDB Entry DOI: 10.7270/Q2348MNX |
More data for this Ligand-Target Pair | |