BDBM50100252 2-Amino-5-[(2,4-dichloro-phenylamino)-methyl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one::CHEMBL303102

SMILES: Nc1nc2[nH]cc(CNc3ccc(Cl)cc3Cl)c2c(=O)[nH]1

InChI Key: InChIKey=FDEHJWACBLVMNI-UHFFFAOYSA-N

Data: 3 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 = 50100252   

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) (Pneumocystis carinii)	BDBM50100252 (2-Amino-5-[(2,4-dichloro-phenylamino)-methyl]-3,7-...) Show SMILES Nc1nc2[nH]cc(CNc3ccc(Cl)cc3Cl)c2c(=O)[nH]1 Show InChI InChI=1S/C13H11Cl2N5O/c14-7-1-2-9(8(15)3-7)17-4-6-5-18-11-10(6)12(21)20-13(16)19-11/h1-3,5,17H,4H2,(H4,16,18,19,20,21)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Pneumocystis carinii dihydrofolate reductase				J Med Chem 44: 1993-2003 (2001) BindingDB Entry DOI: 10.7270/Q2CJ8F6N
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50100252 (2-Amino-5-[(2,4-dichloro-phenylamino)-methyl]-3,7-...) Show SMILES Nc1nc2[nH]cc(CNc3ccc(Cl)cc3Cl)c2c(=O)[nH]1 Show InChI InChI=1S/C13H11Cl2N5O/c14-7-1-2-9(8(15)3-7)17-4-6-5-18-11-10(6)12(21)20-13(16)19-11/h1-3,5,17H,4H2,(H4,16,18,19,20,21)	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	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of rat liver dihydrofolate reductase				J Med Chem 44: 1993-2003 (2001) BindingDB Entry DOI: 10.7270/Q2CJ8F6N
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50100252 (2-Amino-5-[(2,4-dichloro-phenylamino)-methyl]-3,7-...) Show SMILES Nc1nc2[nH]cc(CNc3ccc(Cl)cc3Cl)c2c(=O)[nH]1 Show InChI InChI=1S/C13H11Cl2N5O/c14-7-1-2-9(8(15)3-7)17-4-6-5-18-11-10(6)12(21)20-13(16)19-11/h1-3,5,17H,4H2,(H4,16,18,19,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against Toxoplasma gondii dihydrofolate reductase				J Med Chem 44: 1993-2003 (2001) BindingDB Entry DOI: 10.7270/Q2CJ8F6N
					More data for this Ligand-Target Pair