BDBM50249997 CHEMBL4078124

SMILES: COc1cccc(Oc2nn(c3ncnc(N)c23)C(C)(C)C)c1

InChI Key: InChIKey=YKKODSWYEFMFMI-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50249997   

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)	BDBM50249997 (CHEMBL4078124 | US11208411, Compound GXJ230) Show SMILES COc1cccc(Oc2nn(c3ncnc(N)c23)C(C)(C)C)c1 Show InChI InChI=1S/C16H19N5O2/c1-16(2,3)21-14-12(13(17)18-9-19-14)15(20-21)23-11-7-5-6-10(8-11)22-4/h5-9H,1-4H3,(H2,17,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.90	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
Protein cereblon/Tyrosine-protein kinase SRC (Homo sapiens (Human))	BDBM50249997 (CHEMBL4078124 | US11208411, Compound GXJ230) Show SMILES COc1cccc(Oc2nn(c3ncnc(N)c23)C(C)(C)C)c1 Show InChI InChI=1S/C16H19N5O2/c1-16(2,3)21-14-12(13(17)18-9-19-14)15(20-21)23-11-7-5-6-10(8-11)22-4/h5-9H,1-4H3,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
CAM kinase, CDPK family TgCDPK1 (Toxoplasma gondii (strain ATCC 50861 / VEG))	BDBM50249997 (CHEMBL4078124 | US11208411, Compound GXJ230) Show SMILES COc1cccc(Oc2nn(c3ncnc(N)c23)C(C)(C)C)c1 Show InChI InChI=1S/C16H19N5O2/c1-16(2,3)21-14-12(13(17)18-9-19-14)15(20-21)23-11-7-5-6-10(8-11)22-4/h5-9H,1-4H3,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars		n/a	n/a	8.94	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50249997 (CHEMBL4078124 | US11208411, Compound GXJ230) Show SMILES COc1cccc(Oc2nn(c3ncnc(N)c23)C(C)(C)C)c1 Show InChI InChI=1S/C16H19N5O2/c1-16(2,3)21-14-12(13(17)18-9-19-14)15(20-21)23-11-7-5-6-10(8-11)22-4/h5-9H,1-4H3,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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