BDBM50250102 CHEMBL4067196

SMILES: Nc1ncnc2n(CC3CNC3)nc(Oc3cccc(Cl)c3)c12

InChI Key: InChIKey=JERUHDOQWVDHGI-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 = 50250102   

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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50250102 (CHEMBL4067196 | US11208411, Compound FUR6-12) Show SMILES Nc1ncnc2n(CC3CNC3)nc(Oc3cccc(Cl)c3)c12 Show InChI InChI=1S/C15H15ClN6O/c16-10-2-1-3-11(4-10)23-15-12-13(17)19-8-20-14(12)22(21-15)7-9-5-18-6-9/h1-4,8-9,18H,5-7H2,(H2,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid 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
Protein cereblon/Tyrosine-protein kinase SRC (Homo sapiens (Human))	BDBM50250102 (CHEMBL4067196 | US11208411, Compound FUR6-12) Show SMILES Nc1ncnc2n(CC3CNC3)nc(Oc3cccc(Cl)c3)c12 Show InChI InChI=1S/C15H15ClN6O/c16-10-2-1-3-11(4-10)23-15-12-13(17)19-8-20-14(12)22(21-15)7-9-5-18-6-9/h1-4,8-9,18H,5-7H2,(H2,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem 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))	BDBM50250102 (CHEMBL4067196 | US11208411, Compound FUR6-12) Show SMILES Nc1ncnc2n(CC3CNC3)nc(Oc3cccc(Cl)c3)c12 Show InChI InChI=1S/C15H15ClN6O/c16-10-2-1-3-11(4-10)23-15-12-13(17)19-8-20-14(12)22(21-15)7-9-5-18-6-9/h1-4,8-9,18H,5-7H2,(H2,17,19,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	191	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Calmodulin-domain protein kinase 1 (CDPK1) (Toxoplasma gondii)	BDBM50250102 (CHEMBL4067196 | US11208411, Compound FUR6-12) Show SMILES Nc1ncnc2n(CC3CNC3)nc(Oc3cccc(Cl)c3)c12 Show InChI InChI=1S/C15H15ClN6O/c16-10-2-1-3-11(4-10)23-15-12-13(17)19-8-20-14(12)22(21-15)7-9-5-18-6-9/h1-4,8-9,18H,5-7H2,(H2,17,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	191	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