BDBM50063573 CHEMBL3398598
SMILES: Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ncccn3)C2)cc1Cl
InChI Key: InChIKey=UEHPFWNLRUDPQR-HXUWFJFHSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50063573 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)) | BDBM50063573
(CHEMBL3398598)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ncccn3)C2)cc1Cl |r| Show InChI InChI=1S/C27H29ClN6O3/c28-23-16-21(4-7-24(23)35)31-27(37)20-8-11-32(17-20)18-25(36)34-14-12-33(13-15-34)22-5-2-19(3-6-22)26-29-9-1-10-30-26/h1-7,9-10,16,20,35H,8,11-15,17-18H2,(H,31,37)/t20-/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 | 20 | 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)) | BDBM50063573
(CHEMBL3398598)Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ncccn3)C2)cc1Cl |r| Show InChI InChI=1S/C27H29ClN6O3/c28-23-16-21(4-7-24(23)35)31-27(37)20-8-11-32(17-20)18-25(36)34-14-12-33(13-15-34)22-5-2-19(3-6-22)26-29-9-1-10-30-26/h1-7,9-10,16,20,35H,8,11-15,17-18H2,(H,31,37)/t20-/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 | 410 | 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 | |