BDBM18249 5-ethyl-6-[(4-nitrophenyl)sulfanyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine::Pyrrolo[2, 3-d]pyrimidine analogue, 5

SMILES: CCc1c(Sc2ccc(cc2)[N+]([O-])=O)[nH]c2nc(N)nc(N)c12

InChI Key: InChIKey=UAOHAABNWKRYNZ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 18249   

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)	BDBM18249 (5-ethyl-6-[(4-nitrophenyl)sulfanyl]-7H-pyrrolo[2,3...) Show SMILES CCc1c(Sc2ccc(cc2)[N+]([O-])=O)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H14N6O2S/c1-2-9-10-11(15)17-14(16)19-12(10)18-13(9)23-8-5-3-7(4-6-8)20(21)22/h3-6H,2H2,1H3,(H5,15,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	7.4	30
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18249 (5-ethyl-6-[(4-nitrophenyl)sulfanyl]-7H-pyrrolo[2,3...) Show SMILES CCc1c(Sc2ccc(cc2)[N+]([O-])=O)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H14N6O2S/c1-2-9-10-11(15)17-14(16)19-12(10)18-13(9)23-8-5-3-7(4-6-8)20(21)22/h3-6H,2H2,1H3,(H5,15,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM18249 (5-ethyl-6-[(4-nitrophenyl)sulfanyl]-7H-pyrrolo[2,3...) Show SMILES CCc1c(Sc2ccc(cc2)[N+]([O-])=O)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H14N6O2S/c1-2-9-10-11(15)17-14(16)19-12(10)18-13(9)23-8-5-3-7(4-6-8)20(21)22/h3-6H,2H2,1H3,(H5,15,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18249 (5-ethyl-6-[(4-nitrophenyl)sulfanyl]-7H-pyrrolo[2,3...) Show SMILES CCc1c(Sc2ccc(cc2)[N+]([O-])=O)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H14N6O2S/c1-2-9-10-11(15)17-14(16)19-12(10)18-13(9)23-8-5-3-7(4-6-8)20(21)22/h3-6H,2H2,1H3,(H5,15,16,17,18,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mycobacterium avium)	BDBM18249 (5-ethyl-6-[(4-nitrophenyl)sulfanyl]-7H-pyrrolo[2,3...) Show SMILES CCc1c(Sc2ccc(cc2)[N+]([O-])=O)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H14N6O2S/c1-2-9-10-11(15)17-14(16)19-12(10)18-13(9)23-8-5-3-7(4-6-8)20(21)22/h3-6H,2H2,1H3,(H5,15,16,17,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Pneumocystis carinii)	BDBM18249 (5-ethyl-6-[(4-nitrophenyl)sulfanyl]-7H-pyrrolo[2,3...) Show SMILES CCc1c(Sc2ccc(cc2)[N+]([O-])=O)[nH]c2nc(N)nc(N)c12 Show InChI InChI=1S/C14H14N6O2S/c1-2-9-10-11(15)17-14(16)19-12(10)18-13(9)23-8-5-3-7(4-6-8)20(21)22/h3-6H,2H2,1H3,(H5,15,16,17,18,19)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.				J Med Chem 50: 3046-3053 (2007) Article DOI: 10.1021/jm070165j BindingDB Entry DOI: 10.7270/Q2R78CH5
					More data for this Ligand-Target Pair