BDBM50250015 CHEMBL4065764
SMILES: CC(C)(C)n1nc(Sc2cccc(Cl)c2)c2c(N)ncnc12
InChI Key: InChIKey=PNPUVQZAAVTLKS-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Calmodulin-domain protein kinase 1 (CDPK1) (Toxoplasma gondii) | BDBM50250015 (CHEMBL4065764) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of C-terminal His-tagged full length Toxoplasma gondii CDPK1 expressed in Escherichia coli BL21 (DE3) using syntide-2 as substrate pre-inc... | J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50250015 (CHEMBL4065764) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human Src kinase domain (254 to 536 residues) expressed in Escherichia coli BL21 (DE3) using abltide as substrate pre-incubated for 10 ... | J Med Chem 60: 9976-9989 (2017) Article DOI: 10.1021/acs.jmedchem.7b01192 BindingDB Entry DOI: 10.7270/Q21G0PP0 | |||||||||||
More data for this Ligand-Target Pair |