BDBM92422 CHEMBL407391::PU09

SMILES: CN(C)c1ncnc2nc[nH]c12

InChI Key: InChIKey=BVIAOQMSVZHOJM-UHFFFAOYSA-N

Data: 3 KI  2 IC50

PDB links: 4 PDB IDs match this monomer.

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 = 92422   

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
PTK2B protein tyrosine kinase 2 beta (PTK2B) (Homo sapiens (Human))	BDBM92422 (CHEMBL407391 | PU09) Show SMILES CN(C)c1ncnc2nc[nH]c12 Show InChI InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sandia National Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PYK2 by ESI-MS analysis				J Med Chem 55: 1926-39 (2012) Article DOI: 10.1021/jm200979x BindingDB Entry DOI: 10.7270/Q2R212DQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM92422 (CHEMBL407391 | PU09) Show SMILES CN(C)c1ncnc2nc[nH]c12 Show InChI InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sandia National Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant ZAP70 using EEEEYEEEE as substrate by ESI-MS analysis				J Med Chem 55: 1926-39 (2012) Article DOI: 10.1021/jm200979x BindingDB Entry DOI: 10.7270/Q2R212DQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha (Homo sapiens (Human))	BDBM92422 (CHEMBL407391 | PU09) Show SMILES CN(C)c1ncnc2nc[nH]c12 Show InChI InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PubMed	1.50E+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
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM92422 (CHEMBL407391 | PU09) Show SMILES CN(C)c1ncnc2nc[nH]c12 Show InChI InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM92422 (CHEMBL407391 | PU09) Show SMILES CN(C)c1ncnc2nc[nH]c12 Show InChI InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.4	37
University of Copenhagen					Assay Description The screening of the compound library at the h5-HT3A-HEK293 cell line and the subsequent functional characterization of the compounds were performed ...				J Biol Chem 287: 25241-54 (2012) Article DOI: 10.1074/jbc.M112.360370 BindingDB Entry DOI: 10.7270/Q2N29VHP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha (Homo sapiens (Human))	BDBM92422 (CHEMBL407391 | PU09) Show SMILES CN(C)c1ncnc2nc[nH]c12 Show InChI InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	2.18E+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