BDBM50418232 CHEMBL1765762

SMILES: Nc1n[nH]c2cc(ccc12)-c1cc(NC2CCCC2)nc(N)n1

InChI Key: InChIKey=LDKHTALMQVJDPD-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 = 50418232   

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))	BDBM50418232 (CHEMBL1765762) Show SMILES Nc1n[nH]c2cc(ccc12)-c1cc(NC2CCCC2)nc(N)n1 Show InChI InChI=1S/C16H19N7/c17-15-11-6-5-9(7-13(11)22-23-15)12-8-14(21-16(18)20-12)19-10-3-1-2-4-10/h5-8,10H,1-4H2,(H3,17,22,23)(H3,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.94E+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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50418232 (CHEMBL1765762) Show SMILES Nc1n[nH]c2cc(ccc12)-c1cc(NC2CCCC2)nc(N)n1 Show InChI InChI=1S/C16H19N7/c17-15-11-6-5-9(7-13(11)22-23-15)12-8-14(21-16(18)20-12)19-10-3-1-2-4-10/h5-8,10H,1-4H2,(H3,17,22,23)(H3,18,19,20,21)	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	6.31E+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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50418232 (CHEMBL1765762) Show SMILES Nc1n[nH]c2cc(ccc12)-c1cc(NC2CCCC2)nc(N)n1 Show InChI InChI=1S/C16H19N7/c17-15-11-6-5-9(7-13(11)22-23-15)12-8-14(21-16(18)20-12)19-10-3-1-2-4-10/h5-8,10H,1-4H2,(H3,17,22,23)(H3,18,19,20,21)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	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))	BDBM50418232 (CHEMBL1765762) Show SMILES Nc1n[nH]c2cc(ccc12)-c1cc(NC2CCCC2)nc(N)n1 Show InChI InChI=1S/C16H19N7/c17-15-11-6-5-9(7-13(11)22-23-15)12-8-14(21-16(18)20-12)19-10-3-1-2-4-10/h5-8,10H,1-4H2,(H3,17,22,23)(H3,18,19,20,21)	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 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))	BDBM50418232 (CHEMBL1765762) Show SMILES Nc1n[nH]c2cc(ccc12)-c1cc(NC2CCCC2)nc(N)n1 Show InChI InChI=1S/C16H19N7/c17-15-11-6-5-9(7-13(11)22-23-15)12-8-14(21-16(18)20-12)19-10-3-1-2-4-10/h5-8,10H,1-4H2,(H3,17,22,23)(H3,18,19,20,21)	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	50	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