BDBM50406007 CHEMBL418293

SMILES: COc1cc(Cc2cnc(N)nc2N)cc2C(C)=C(F)C(C)(CF)Nc12

InChI Key: InChIKey=HKVFBDOFZVZRHQ-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50406007   

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 (Escherichia coli)	BDBM50406007 (CHEMBL418293) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(C)=C(F)C(C)(CF)Nc12 |t:18| Show InChI InChI=1S/C18H21F2N5O/c1-9-12-5-10(4-11-7-23-17(22)24-16(11)21)6-13(26-3)14(12)25-18(2,8-19)15(9)20/h5-7,25H,4,8H2,1-3H3,(H4,21,22,23,24)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Apparent binding affinity of compound in Escherichia coli DHFR				J Med Chem 32: 1942-9 (1989) Checked by Author BindingDB Entry DOI: 10.7270/Q2G73FX0
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50406007 (CHEMBL418293) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(C)=C(F)C(C)(CF)Nc12 |t:18| Show InChI InChI=1S/C18H21F2N5O/c1-9-12-5-10(4-11-7-23-17(22)24-16(11)21)6-13(26-3)14(12)25-18(2,8-19)15(9)20/h5-7,25H,4,8H2,1-3H3,(H4,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase in rat liver				J Med Chem 32: 1942-9 (1989) Checked by Author BindingDB Entry DOI: 10.7270/Q2G73FX0
					More data for this Ligand-Target Pair
Dihydrofolate reductase type 1 (Escherichia coli)	BDBM50406007 (CHEMBL418293) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(C)=C(F)C(C)(CF)Nc12 |t:18| Show InChI InChI=1S/C18H21F2N5O/c1-9-12-5-10(4-11-7-23-17(22)24-16(11)21)6-13(26-3)14(12)25-18(2,8-19)15(9)20/h5-7,25H,4,8H2,1-3H3,(H4,21,22,23,24)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase in Escherichia coli				J Med Chem 32: 1942-9 (1989) Checked by Author BindingDB Entry DOI: 10.7270/Q2G73FX0
					More data for this Ligand-Target Pair