BDBM15645 N-((S)-1-(3-Chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide::N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H-pyrrole-2-carboxamide::Pyrrole Carboxamide Analog 6p
SMILES: OC[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(F)c(Cl)c1
InChI Key: InChIKey=YMUYGRBBEDYUOP-HXUWFJFHSA-N
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)) | BDBM15645 (N-((S)-1-(3-Chloro-4-fluorophenyl)-2-hydroxyethyl)...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex | Assay Description A coupled spectrophotometric assay was used in which ADP generated by ERK2 was converted to ATP by pyruvate kinase with the production of pyruvate fr... | J Med Chem 50: 1280-7 (2007) Article DOI: 10.1021/jm061381f BindingDB Entry DOI: 10.7270/Q2BR8QFV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Mitogen-activated protein kinase 10 (Homo sapiens (Human)) | BDBM15645 (N-((S)-1-(3-Chloro-4-fluorophenyl)-2-hydroxyethyl)...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex | Assay Description A coupled spectrophotometric assay was used in which ADP generated by JNK3 was converted to ATP by pyruvate kinase with the production of pyruvate fr... | J Med Chem 50: 1280-7 (2007) Article DOI: 10.1021/jm061381f BindingDB Entry DOI: 10.7270/Q2BR8QFV | |||||||||||
More data for this Ligand-Target Pair |