BDBM50003057 7-Amino-1,2,3-trimethyl-2,8-dihydro-2,5,6,8-tetraaza-cyclopenta[a]naphthalen-9-one::CHEMBL122959

SMILES: Cc1n(C)c(C)c2c1cnc1nc(N)[nH]c(=O)c21

InChI Key: InChIKey=WNAFKDMXNUMRHW-UHFFFAOYSA-N

Data: 4 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 = 50003057   

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 (Homo sapiens (Human))	BDBM50003057 (7-Amino-1,2,3-trimethyl-2,8-dihydro-2,5,6,8-tetraa...) Show SMILES Cc1n(C)c(C)c2c1cnc1nc(N)[nH]c(=O)c21 Show InChI InChI=1S/C12H13N5O/c1-5-7-4-14-10-9(8(7)6(2)17(5)3)11(18)16-12(13)15-10/h4H,1-3H3,(H3,13,15,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of recombinant human Dihydrofolate reductase (DHFR); no inhibition				J Med Chem 35: 3678-85 (1992) BindingDB Entry DOI: 10.7270/Q2RJ4HFH
					More data for this Ligand-Target Pair
Thymidylate Synthase (TS) (Lactobacillus casei)	BDBM50003057 (7-Amino-1,2,3-trimethyl-2,8-dihydro-2,5,6,8-tetraa...) Show SMILES Cc1n(C)c(C)c2c1cnc1nc(N)[nH]c(=O)c21 Show InChI InChI=1S/C12H13N5O/c1-5-7-4-14-10-9(8(7)6(2)17(5)3)11(18)16-12(13)15-10/h4H,1-3H3,(H3,13,15,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Lactobacillus casei thymidylate synthase				J Med Chem 35: 3678-85 (1992) BindingDB Entry DOI: 10.7270/Q2RJ4HFH
					More data for this Ligand-Target Pair
AICAR transformylase (Homo sapiens (Human))	BDBM50003057 (7-Amino-1,2,3-trimethyl-2,8-dihydro-2,5,6,8-tetraa...) Show SMILES Cc1n(C)c(C)c2c1cnc1nc(N)[nH]c(=O)c21 Show InChI InChI=1S/C12H13N5O/c1-5-7-4-14-10-9(8(7)6(2)17(5)3)11(18)16-12(13)15-10/h4H,1-3H3,(H3,13,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Aminoimidazole carboxamide ribonucleotide formyl transferase (AICAR) with (6R) tetrahydrofolate as subst...				J Med Chem 35: 3678-85 (1992) BindingDB Entry DOI: 10.7270/Q2RJ4HFH
					More data for this Ligand-Target Pair
GAR transformylase (Mus musculus)	BDBM50003057 (7-Amino-1,2,3-trimethyl-2,8-dihydro-2,5,6,8-tetraa...) Show SMILES Cc1n(C)c(C)c2c1cnc1nc(N)[nH]c(=O)c21 Show InChI InChI=1S/C12H13N5O/c1-5-7-4-14-10-9(8(7)6(2)17(5)3)11(18)16-12(13)15-10/h4H,1-3H3,(H3,13,15,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Glycinamide ribonucleotide formyl transferase (GAR) with formyl (6R) tetrahydrofolate as substrate				J Med Chem 35: 3678-85 (1992) BindingDB Entry DOI: 10.7270/Q2RJ4HFH
					More data for this Ligand-Target Pair