BDBM50405035 CHEMBL266573

SMILES: COc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C

InChI Key: InChIKey=KLCSZLKQTXQCTD-UHFFFAOYSA-N

Data: 4 KI  1 IC50  1 Kd

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 6 hits for monomerid = 50405035   

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 (Gallus gallus (Chicken))	BDBM50405035 (CHEMBL266573) Show SMILES COc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:11,14| Show InChI InChI=1S/C12H17N5O/c1-12(2)16-10(13)15-11(14)17(12)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3,(H4,13,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	331	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR)				J Med Chem 27: 129-43 (1984) BindingDB Entry DOI: 10.7270/Q2TT4S5M
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50405035 (CHEMBL266573) Show SMILES COc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:11,14| Show InChI InChI=1S/C12H17N5O/c1-12(2)16-10(13)15-11(14)17(12)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3,(H4,13,14,15,16)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DHFR assessed as NADP formation by quadratic Morrison plot analysis				Eur J Med Chem 103: 600-14 (2015) Article DOI: 10.1016/j.ejmech.2015.08.021 BindingDB Entry DOI: 10.7270/Q2DR2ZGJ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50405035 (CHEMBL266573) Show SMILES COc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:11,14| Show InChI InChI=1S/C12H17N5O/c1-12(2)16-10(13)15-11(14)17(12)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3,(H4,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human lymphoblastoid cell (WIL2) dihydrofolate reductase (DHFR)				J Med Chem 27: 144-9 (1984) BindingDB Entry DOI: 10.7270/Q28K7C96
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Lactobacillus casei)	BDBM50405035 (CHEMBL266573) Show SMILES COc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:11,14| Show InChI InChI=1S/C12H17N5O/c1-12(2)16-10(13)15-11(14)17(12)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3,(H4,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	7.94E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR)				J Med Chem 27: 129-43 (1984) BindingDB Entry DOI: 10.7270/Q2TT4S5M
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50405035 (CHEMBL266573) Show SMILES COc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:11,14| Show InChI InChI=1S/C12H17N5O/c1-12(2)16-10(13)15-11(14)17(12)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3,(H4,13,14,15,16)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli DHFR at 500 uM using spyro orange reporter dye by differential scanning fluorimetry				Eur J Med Chem 103: 600-14 (2015) Article DOI: 10.1016/j.ejmech.2015.08.021 BindingDB Entry DOI: 10.7270/Q2DR2ZGJ
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM50405035 (CHEMBL266573) Show SMILES COc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:11,14| Show InChI InChI=1S/C12H17N5O/c1-12(2)16-10(13)15-11(14)17(12)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3,(H4,13,14,15,16)	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DHFR assessed as NADP formation				Eur J Med Chem 103: 600-14 (2015) Article DOI: 10.1016/j.ejmech.2015.08.021 BindingDB Entry DOI: 10.7270/Q2DR2ZGJ
					More data for this Ligand-Target Pair