BDBM50063572 CHEMBL3398599
SMILES: CCc1cnc(nc1)-c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(Cl)c1
InChI Key: InChIKey=RMWIFGBVICWWOL-JOCHJYFZSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50063572 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 1
(Homo sapiens (Human)) | BDBM50063572
(CHEMBL3398599)Show SMILES CCc1cnc(nc1)-c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(Cl)c1 |r| Show InChI InChI=1S/C29H33ClN6O3/c1-2-20-16-31-28(32-17-20)21-3-6-24(7-4-21)35-11-13-36(14-12-35)27(38)19-34-10-9-22(18-34)29(39)33-23-5-8-26(37)25(30)15-23/h3-8,15-17,22,37H,2,9-14,18-19H2,1H3,(H,33,39)/t22-/m1/s1 | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay |
Bioorg Med Chem Lett 25: 1627-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.049 BindingDB Entry DOI: 10.7270/Q2BK1F1S |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50063572
(CHEMBL3398599)Show SMILES CCc1cnc(nc1)-c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(Cl)c1 |r| Show InChI InChI=1S/C29H33ClN6O3/c1-2-20-16-31-28(32-17-20)21-3-6-24(7-4-21)35-11-13-36(14-12-35)27(38)19-34-10-9-22(18-34)29(39)33-23-5-8-26(37)25(30)15-23/h3-8,15-17,22,37H,2,9-14,18-19H2,1H3,(H,33,39)/t22-/m1/s1 | 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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of activated Erk2 (unknown origin) by biochemical assay |
Bioorg Med Chem Lett 25: 1627-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.049 BindingDB Entry DOI: 10.7270/Q2BK1F1S |
More data for this Ligand-Target Pair | |