BDBM50418233 CHEMBL1765876

SMILES: Nc1n[nH]c2cc(ccc12)-c1cc(Nc2ccccc2)nc(N)n1

InChI Key: InChIKey=JIJYWPGTRDMEFZ-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 = 50418233   

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))	BDBM50418233 (CHEMBL1765876) Show SMILES Nc1n[nH]c2cc(ccc12)-c1cc(Nc2ccccc2)nc(N)n1 Show InChI InChI=1S/C17H15N7/c18-16-12-7-6-10(8-14(12)23-24-16)13-9-15(22-17(19)21-13)20-11-4-2-1-3-5-11/h1-9H,(H3,18,23,24)(H3,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+3	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))	BDBM50418233 (CHEMBL1765876) Show SMILES Nc1n[nH]c2cc(ccc12)-c1cc(Nc2ccccc2)nc(N)n1 Show InChI InChI=1S/C17H15N7/c18-16-12-7-6-10(8-14(12)23-24-16)13-9-15(22-17(19)21-13)20-11-4-2-1-3-5-11/h1-9H,(H3,18,23,24)(H3,19,20,21,22)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	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))	BDBM50418233 (CHEMBL1765876) Show SMILES Nc1n[nH]c2cc(ccc12)-c1cc(Nc2ccccc2)nc(N)n1 Show InChI InChI=1S/C17H15N7/c18-16-12-7-6-10(8-14(12)23-24-16)13-9-15(22-17(19)21-13)20-11-4-2-1-3-5-11/h1-9H,(H3,18,23,24)(H3,19,20,21,22)	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	200	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))	BDBM50418233 (CHEMBL1765876) Show SMILES Nc1n[nH]c2cc(ccc12)-c1cc(Nc2ccccc2)nc(N)n1 Show InChI InChI=1S/C17H15N7/c18-16-12-7-6-10(8-14(12)23-24-16)13-9-15(22-17(19)21-13)20-11-4-2-1-3-5-11/h1-9H,(H3,18,23,24)(H3,19,20,21,22)	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	20	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))	BDBM50418233 (CHEMBL1765876) Show SMILES Nc1n[nH]c2cc(ccc12)-c1cc(Nc2ccccc2)nc(N)n1 Show InChI InChI=1S/C17H15N7/c18-16-12-7-6-10(8-14(12)23-24-16)13-9-15(22-17(19)21-13)20-11-4-2-1-3-5-11/h1-9H,(H3,18,23,24)(H3,19,20,21,22)	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	2.51E+3	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