BDBM50418231 CHEMBL1765761

SMILES: CC(C)Nc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1

InChI Key: InChIKey=HABRRQSUPGOZTD-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50418231   

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
Aurora kinase B (Homo sapiens (Human))	BDBM50418231 (CHEMBL1765761) Show SMILES CC(C)Nc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 Show InChI InChI=1S/C14H17N7/c1-7(2)17-12-6-10(18-14(16)19-12)8-3-4-9-11(5-8)20-21-13(9)15/h3-7H,1-2H3,(H3,15,20,21)(H3,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of aurora B				J Med Chem 54: 1871-95 (2011) Article DOI: 10.1021/jm101527u BindingDB Entry DOI: 10.7270/Q2HQ406Q
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50418231 (CHEMBL1765761) Show SMILES CC(C)Nc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 Show InChI InChI=1S/C14H17N7/c1-7(2)17-12-6-10(18-14(16)19-12)8-3-4-9-11(5-8)20-21-13(9)15/h3-7H,1-2H3,(H3,15,20,21)(H3,16,17,18,19)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ALK5				J Med Chem 54: 1871-95 (2011) Article DOI: 10.1021/jm101527u BindingDB Entry DOI: 10.7270/Q2HQ406Q
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50418231 (CHEMBL1765761) Show SMILES CC(C)Nc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 Show InChI InChI=1S/C14H17N7/c1-7(2)17-12-6-10(18-14(16)19-12)8-3-4-9-11(5-8)20-21-13(9)15/h3-7H,1-2H3,(H3,15,20,21)(H3,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of aurora A				J Med Chem 54: 1871-95 (2011) Article DOI: 10.1021/jm101527u BindingDB Entry DOI: 10.7270/Q2HQ406Q
					More data for this Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM50418231 (CHEMBL1765761) Show SMILES CC(C)Nc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 Show InChI InChI=1S/C14H17N7/c1-7(2)17-12-6-10(18-14(16)19-12)8-3-4-9-11(5-8)20-21-13(9)15/h3-7H,1-2H3,(H3,15,20,21)(H3,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated AKT phosphorylation at Thr308 residue in human PC3 cells by ELISA				J Med Chem 54: 1871-95 (2011) Article DOI: 10.1021/jm101527u BindingDB Entry DOI: 10.7270/Q2HQ406Q
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50418231 (CHEMBL1765761) Show SMILES CC(C)Nc1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1 Show InChI InChI=1S/C14H17N7/c1-7(2)17-12-6-10(18-14(16)19-12)8-3-4-9-11(5-8)20-21-13(9)15/h3-7H,1-2H3,(H3,15,20,21)(H3,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ROCK1				J Med Chem 54: 1871-95 (2011) Article DOI: 10.1021/jm101527u BindingDB Entry DOI: 10.7270/Q2HQ406Q
					More data for this Ligand-Target Pair