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SMILES: Nc1nc2cnc(cn2n1)-c1ccccc1

InChI Key: InChIKey=NKIXJKQWFAULJD-UHFFFAOYSA-N

PDB links: 1 PDB ID matches 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 8 hits for monomerid = 93226   

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
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human))	BDBM93226 (Kinase inhibitor, B1) Show SMILES Nc1nc2cnc(cn2n1)-c1ccccc1 Show InChI InChI=1S/C11H9N5/c12-11-14-10-6-13-9(7-16(10)15-11)8-4-2-1-3-5-8/h1-7H,(H2,12,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM93226 (Kinase inhibitor, B1) Show SMILES Nc1nc2cnc(cn2n1)-c1ccccc1 Show InChI InChI=1S/C11H9N5/c12-11-14-10-6-13-9(7-16(10)15-11)8-4-2-1-3-5-8/h1-7H,(H2,12,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM93226 (Kinase inhibitor, B1) Show SMILES Nc1nc2cnc(cn2n1)-c1ccccc1 Show InChI InChI=1S/C11H9N5/c12-11-14-10-6-13-9(7-16(10)15-11)8-4-2-1-3-5-8/h1-7H,(H2,12,15)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Yes (Homo sapiens (Human))	BDBM93226 (Kinase inhibitor, B1) Show SMILES Nc1nc2cnc(cn2n1)-c1ccccc1 Show InChI InChI=1S/C11H9N5/c12-11-14-10-6-13-9(7-16(10)15-11)8-4-2-1-3-5-8/h1-7H,(H2,12,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src (Gallus gallus (Chicken))	BDBM93226 (Kinase inhibitor, B1) Show SMILES Nc1nc2cnc(cn2n1)-c1ccccc1 Show InChI InChI=1S/C11H9N5/c12-11-14-10-6-13-9(7-16(10)15-11)8-4-2-1-3-5-8/h1-7H,(H2,12,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM93226 (Kinase inhibitor, B1) Show SMILES Nc1nc2cnc(cn2n1)-c1ccccc1 Show InChI InChI=1S/C11H9N5/c12-11-14-10-6-13-9(7-16(10)15-11)8-4-2-1-3-5-8/h1-7H,(H2,12,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM93226 (Kinase inhibitor, B1) Show SMILES Nc1nc2cnc(cn2n1)-c1ccccc1 Show InChI InChI=1S/C11H9N5/c12-11-14-10-6-13-9(7-16(10)15-11)8-4-2-1-3-5-8/h1-7H,(H2,12,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM93226 (Kinase inhibitor, B1) Show SMILES Nc1nc2cnc(cn2n1)-c1ccccc1 Show InChI InChI=1S/C11H9N5/c12-11-14-10-6-13-9(7-16(10)15-11)8-4-2-1-3-5-8/h1-7H,(H2,12,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee					Assay Description Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...				ACS Chem Biol 8: 1044-52 (2013) Article DOI: 10.1021/cb300729y BindingDB Entry DOI: 10.7270/Q2MG7N3W
					More data for this Ligand-Target Pair