BDBM50506362 CHEMBL4440266
SMILES: Cl.Cl.Cc1n[nH]cc1-c1cc2nc([nH]c(=O)c2s1)[C@@H]1CCCN1
InChI Key: InChIKey=WEESICLYQYQKNO-WWPIYYJJSA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CDK2/CycE (Homo sapiens (Human)) | BDBM50506362![]() (CHEMBL4440266) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL | Assay Description Inhibition of N-terminal GST-tagged full-length human CDK2 (1 to 298 residues)/Cyclin E (1 to 410 residues) expressed in baculovirus expression syste... | J Med Chem 63: 1084-1104 (2020) Article DOI: 10.1021/acs.jmedchem.9b01427 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rho-associated protein kinase 1 (Homo sapiens (Human)) | BDBM50506362![]() (CHEMBL4440266) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL | Assay Description Inhibition of N-terminal GST-tagged human ROCK1 catalytic domain (1 to 477 residues) expressed in baculovirus expression system using biotin-STK-subs... | J Med Chem 63: 1084-1104 (2020) Article DOI: 10.1021/acs.jmedchem.9b01427 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CDC7 and DBF4 (Homo sapiens (Human)) | BDBM50506362![]() (CHEMBL4440266) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 0.710 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL | Assay Description Inhibition of N-terminal GST-fused full-length human CDC7 (1 to 574 end residues)/DBF4 (1 to 674 residues) expressed in baculovirus expression system... | J Med Chem 63: 1084-1104 (2020) Article DOI: 10.1021/acs.jmedchem.9b01427 | |||||||||||
More data for this Ligand-Target Pair |