BDBM50013698 8-Phenyl-9H-purine-2,6-diamine::CHEMBL66077

SMILES: Nc1nc(N)c2[nH]c(nc2n1)-c1ccccc1

InChI Key: InChIKey=WGJICLLGFIVHNE-UHFFFAOYSA-N

Data: 1 KI  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 7 hits for monomerid = 50013698   

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
Phosphatidylinositol 4-kinase type 2-alpha (Homo sapiens (Human))	BDBM50013698 (8-Phenyl-9H-purine-2,6-diamine | CHEMBL66077) Show SMILES Nc1nc(N)c2[nH]c(nc2n1)-c1ccccc1 Show InChI InChI=1S/C11H10N6/c12-8-7-10(17-11(13)15-8)16-9(14-7)6-4-2-1-3-5-6/h1-5H,(H5,12,13,14,15,16,17)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.38E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Research Limited Curated by ChEMBL					Assay Description Binding affinity (Ki) against human phosphatidylinositol 4-kinase				J Med Chem 33: 2073-80 (1990) BindingDB Entry DOI: 10.7270/Q25T3NQV
					More data for this Ligand-Target Pair
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii)	BDBM50013698 (8-Phenyl-9H-purine-2,6-diamine | CHEMBL66077) Show SMILES Nc1nc(N)c2[nH]c(nc2n1)-c1ccccc1 Show InChI InChI=1S/C11H10N6/c12-8-7-10(17-11(13)15-8)16-9(14-7)6-4-2-1-3-5-6/h1-5H,(H5,12,13,14,15,16,17)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.53E+5	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 40: 3032-9 (1997) Article DOI: 10.1021/jm970271t BindingDB Entry DOI: 10.7270/Q2GX49PG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50013698 (8-Phenyl-9H-purine-2,6-diamine | CHEMBL66077) Show SMILES Nc1nc(N)c2[nH]c(nc2n1)-c1ccccc1 Show InChI InChI=1S/C11H10N6/c12-8-7-10(17-11(13)15-8)16-9(14-7)6-4-2-1-3-5-6/h1-5H,(H5,12,13,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.99E+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 40: 3032-9 (1997) Article DOI: 10.1021/jm970271t BindingDB Entry DOI: 10.7270/Q2GX49PG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Rattus norvegicus (rat))	BDBM50013698 (8-Phenyl-9H-purine-2,6-diamine | CHEMBL66077) Show SMILES Nc1nc(N)c2[nH]c(nc2n1)-c1ccccc1 Show InChI InChI=1S/C11H10N6/c12-8-7-10(17-11(13)15-8)16-9(14-7)6-4-2-1-3-5-6/h1-5H,(H5,12,13,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of rat liver DHFR by spectrophotometric assay				Bioorg Med Chem 18: 1684-701 (2010) Article DOI: 10.1016/j.bmc.2009.12.066 BindingDB Entry DOI: 10.7270/Q2668D9K
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha (Homo sapiens (Human))	BDBM50013698 (8-Phenyl-9H-purine-2,6-diamine | CHEMBL66077) Show SMILES Nc1nc(N)c2[nH]c(nc2n1)-c1ccccc1 Show InChI InChI=1S/C11H10N6/c12-8-7-10(17-11(13)15-8)16-9(14-7)6-4-2-1-3-5-6/h1-5H,(H5,12,13,14,15,16,17)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Research Limited Curated by ChEMBL					Assay Description Inhibitory activity (IC50) against human phosphatidylinositol 4-kinase at the ATP binding site				J Med Chem 33: 2073-80 (1990) BindingDB Entry DOI: 10.7270/Q25T3NQV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50013698 (8-Phenyl-9H-purine-2,6-diamine | CHEMBL66077) Show SMILES Nc1nc(N)c2[nH]c(nc2n1)-c1ccccc1 Show InChI InChI=1S/C11H10N6/c12-8-7-10(17-11(13)15-8)16-9(14-7)6-4-2-1-3-5-6/h1-5H,(H5,12,13,14,15,16,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	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 40: 3032-9 (1997) Article DOI: 10.1021/jm970271t BindingDB Entry DOI: 10.7270/Q2GX49PG
					More data for this Ligand-Target Pair
Dihydrofolate reductase (DHFR) (Toxoplasma gondii)	BDBM50013698 (8-Phenyl-9H-purine-2,6-diamine | CHEMBL66077) Show SMILES Nc1nc(N)c2[nH]c(nc2n1)-c1ccccc1 Show InChI InChI=1S/C11H10N6/c12-8-7-10(17-11(13)15-8)16-9(14-7)6-4-2-1-3-5-6/h1-5H,(H5,12,13,14,15,16,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii DHFR by spectrophotometric assay				Bioorg Med Chem 18: 1684-701 (2010) Article DOI: 10.1016/j.bmc.2009.12.066 BindingDB Entry DOI: 10.7270/Q2668D9K
					More data for this Ligand-Target Pair