BDBM50244721 CHEMBL4100398
SMILES: CN1c2ccc(cc2OC[C@H](N2CCc3c(Cl)n(Cc4ccccc4)nc3C2=O)C1=O)C#N
InChI Key: InChIKey=JWKONLKXWPCOJF-IBGZPJMESA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human)) | BDBM50244721 (CHEMBL4100398) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.912 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited Curated by ChEMBL | Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy... | J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Receptor-interacting serine/threonine-protein kinase 1 (Mus musculus) | BDBM50244721 (CHEMBL4100398) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited Curated by ChEMBL | Assay Description Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy... | J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human)) | BDBM50244721 (CHEMBL4100398) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited Curated by ChEMBL | Assay Description Inhibition of RIPK1 in human HT-29 cells assessed as decrease in TNFalpha/AT-406/zVAD-FMK-induced MLKL phosphorylation at S358 residue preincubated f... | J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Receptor-interacting serine/threonine-protein kinase 1 (Mus musculus) | BDBM50244721 (CHEMBL4100398) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited Curated by ChEMBL | Assay Description Inhibition of RIPK1 in mouse L929 cells assessed as decrease in TNFalpha/zVAD-FMK-induced MLKL phosphorylation at S358 residue preincubated for 30 mi... | J Med Chem 61: 2384-2409 (2018) Article DOI: 10.1021/acs.jmedchem.7b01647 BindingDB Entry DOI: 10.7270/Q2V98BGX | |||||||||||
More data for this Ligand-Target Pair |