BDBM50203230 CHEMBL3940818

SMILES: Cc1nc(N)nc(N)c1C(=O)N1CCN(CC1)c1cccc(c1)-c1cccc(c1)C#N

InChI Key: InChIKey=UPBXTLVHNQJGNE-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 2 hits for monomerid = 50203230   

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
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50203230 (CHEMBL3940818) Show SMILES Cc1nc(N)nc(N)c1C(=O)N1CCN(CC1)c1cccc(c1)-c1cccc(c1)C#N Show InChI InChI=1S/C23H23N7O/c1-15-20(21(25)28-23(26)27-15)22(31)30-10-8-29(9-11-30)19-7-3-6-18(13-19)17-5-2-4-16(12-17)14-24/h2-7,12-13H,8-11H2,1H3,(H4,25,26,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Turing Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii TS-DHFR expressed in Escherichia coli BL21 preincubated for 15 mins followed by addition of DHF as substrate and NADP...				ACS Med Chem Lett 7: 1124-1129 (2016) Article DOI: 10.1021/acsmedchemlett.6b00328 BindingDB Entry DOI: 10.7270/Q2Z60R1X
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50203230 (CHEMBL3940818) Show SMILES Cc1nc(N)nc(N)c1C(=O)N1CCN(CC1)c1cccc(c1)-c1cccc(c1)C#N Show InChI InChI=1S/C23H23N7O/c1-15-20(21(25)28-23(26)27-15)22(31)30-10-8-29(9-11-30)19-7-3-6-18(13-19)17-5-2-4-16(12-17)14-24/h2-7,12-13H,8-11H2,1H3,(H4,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Turing Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR expressed in Escherichia coli preincubated for 15 mins followed by addition of DHF as substrate and NADPH measur...				ACS Med Chem Lett 7: 1124-1129 (2016) Article DOI: 10.1021/acsmedchemlett.6b00328 BindingDB Entry DOI: 10.7270/Q2Z60R1X
					More data for this Ligand-Target Pair