BDBM50049614 6-[(3-Chloro-phenylamino)-methyl]-pyrido[3,2-d]pyrimidine-2,4-diamine::CHEMBL54618

SMILES: Nc1nc(N)c2nc(CNc3cccc(Cl)c3)ccc2n1

InChI Key: InChIKey=UYTSDXNCTIAVMW-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 = 50049614   

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 (Saccharomyces cerevisiae)	BDBM50049614 (6-[(3-Chloro-phenylamino)-methyl]-pyrido[3,2-d]pyr...) Show SMILES Nc1nc(N)c2nc(CNc3cccc(Cl)c3)ccc2n1 Show InChI InChI=1S/C14H13ClN6/c15-8-2-1-3-9(6-8)18-7-10-4-5-11-12(19-10)13(16)21-14(17)20-11/h1-6,18H,7H2,(H4,16,17,20,21)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	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 39: 1836-45 (1996) Article DOI: 10.1021/jm950918e BindingDB Entry DOI: 10.7270/Q2319TXB
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50049614 (6-[(3-Chloro-phenylamino)-methyl]-pyrido[3,2-d]pyr...) Show SMILES Nc1nc(N)c2nc(CNc3cccc(Cl)c3)ccc2n1 Show InChI InChI=1S/C14H13ClN6/c15-8-2-1-3-9(6-8)18-7-10-4-5-11-12(19-10)13(16)21-14(17)20-11/h1-6,18H,7H2,(H4,16,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibitory activity against rat liver dihydrofolate reductase.				J Med Chem 39: 1836-45 (1996) Article DOI: 10.1021/jm950918e BindingDB Entry DOI: 10.7270/Q2319TXB
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii)	BDBM50049614 (6-[(3-Chloro-phenylamino)-methyl]-pyrido[3,2-d]pyr...) Show SMILES Nc1nc(N)c2nc(CNc3cccc(Cl)c3)ccc2n1 Show InChI InChI=1S/C14H13ClN6/c15-8-2-1-3-9(6-8)18-7-10-4-5-11-12(19-10)13(16)21-14(17)20-11/h1-6,18H,7H2,(H4,16,17,20,21)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Pneumocystis carinii dihydrofolate reductase				J Med Chem 48: 1448-69 (2005) Article DOI: 10.1021/jm040153n BindingDB Entry DOI: 10.7270/Q2V40TQ3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50049614 (6-[(3-Chloro-phenylamino)-methyl]-pyrido[3,2-d]pyr...) Show SMILES Nc1nc(N)c2nc(CNc3cccc(Cl)c3)ccc2n1 Show InChI InChI=1S/C14H13ClN6/c15-8-2-1-3-9(6-8)18-7-10-4-5-11-12(19-10)13(16)21-14(17)20-11/h1-6,18H,7H2,(H4,16,17,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii dihydrofolate reductase				J Med Chem 48: 1448-69 (2005) Article DOI: 10.1021/jm040153n BindingDB Entry DOI: 10.7270/Q2V40TQ3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50049614 (6-[(3-Chloro-phenylamino)-methyl]-pyrido[3,2-d]pyr...) Show SMILES Nc1nc(N)c2nc(CNc3cccc(Cl)c3)ccc2n1 Show InChI InChI=1S/C14H13ClN6/c15-8-2-1-3-9(6-8)18-7-10-4-5-11-12(19-10)13(16)21-14(17)20-11/h1-6,18H,7H2,(H4,16,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	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 48: 1448-69 (2005) Article DOI: 10.1021/jm040153n BindingDB Entry DOI: 10.7270/Q2V40TQ3
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50049614 (6-[(3-Chloro-phenylamino)-methyl]-pyrido[3,2-d]pyr...) Show SMILES Nc1nc(N)c2nc(CNc3cccc(Cl)c3)ccc2n1 Show InChI InChI=1S/C14H13ClN6/c15-8-2-1-3-9(6-8)18-7-10-4-5-11-12(19-10)13(16)21-14(17)20-11/h1-6,18H,7H2,(H4,16,17,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	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 39: 1836-45 (1996) Article DOI: 10.1021/jm950918e BindingDB Entry DOI: 10.7270/Q2319TXB
					More data for this Ligand-Target Pair