BDBM50535082 CHEMBL4466696

SMILES: Cn1cc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCO2)n1

InChI Key: InChIKey=UAUJVWLUSNTVTA-LBPRGKRZSA-N

Data: 9 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 9 hits for monomerid = 50535082   

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))	BDBM50535082 (CHEMBL4466696) Show SMILES Cn1cc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCO2)n1 |r| Show InChI InChI=1S/C16H19N7O/c1-23-10-11(7-21-23)13-6-14-15(19-3-2-18-14)16(22-13)20-9-12-8-17-4-5-24-12/h2-3,6-7,10,12,17H,4-5,8-9H2,1H3,(H,20,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of Aurora B in calyculin stimulated human HT29 cells assessed as reduction in phosphorylation of histone H3 at ser10				Bioorg Med Chem Lett 26: 4606-4612 (2016) Article DOI: 10.1016/j.bmcl.2016.08.070
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50535082 (CHEMBL4466696) Show SMILES Cn1cc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCO2)n1 |r| Show InChI InChI=1S/C16H19N7O/c1-23-10-11(7-21-23)13-6-14-15(19-3-2-18-14)16(22-13)20-9-12-8-17-4-5-24-12/h2-3,6-7,10,12,17H,4-5,8-9H2,1H3,(H,20,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of N-terminal-6His-tagged full length human Aurora B expressed in baculovirus using 5FAM-PKA-tide as substrate after 120 mins by fluoresce...				Bioorg Med Chem Lett 26: 4606-4612 (2016) Article DOI: 10.1016/j.bmcl.2016.08.070
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50535082 (CHEMBL4466696) Show SMILES Cn1cc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCO2)n1 |r| Show InChI InChI=1S/C16H19N7O/c1-23-10-11(7-21-23)13-6-14-15(19-3-2-18-14)16(22-13)20-9-12-8-17-4-5-24-12/h2-3,6-7,10,12,17H,4-5,8-9H2,1H3,(H,20,22)/t12-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHOK1 cell membranes after 2 hrs by cy3b-dofetilide-based fluorescence polarization assay				Bioorg Med Chem Lett 26: 4606-4612 (2016) Article DOI: 10.1016/j.bmcl.2016.08.070
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50535082 (CHEMBL4466696) Show SMILES Cn1cc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCO2)n1 |r| Show InChI InChI=1S/C16H19N7O/c1-23-10-11(7-21-23)13-6-14-15(19-3-2-18-14)16(22-13)20-9-12-8-17-4-5-24-12/h2-3,6-7,10,12,17H,4-5,8-9H2,1H3,(H,20,22)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin)				Bioorg Med Chem Lett 26: 4606-4612 (2016) Article DOI: 10.1016/j.bmcl.2016.08.070
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50535082 (CHEMBL4466696) Show SMILES Cn1cc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCO2)n1 |r| Show InChI InChI=1S/C16H19N7O/c1-23-10-11(7-21-23)13-6-14-15(19-3-2-18-14)16(22-13)20-9-12-8-17-4-5-24-12/h2-3,6-7,10,12,17H,4-5,8-9H2,1H3,(H,20,22)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of ZAP70 (unknown origin)				Bioorg Med Chem Lett 26: 4606-4612 (2016) Article DOI: 10.1016/j.bmcl.2016.08.070
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50535082 (CHEMBL4466696) Show SMILES Cn1cc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCO2)n1 |r| Show InChI InChI=1S/C16H19N7O/c1-23-10-11(7-21-23)13-6-14-15(19-3-2-18-14)16(22-13)20-9-12-8-17-4-5-24-12/h2-3,6-7,10,12,17H,4-5,8-9H2,1H3,(H,20,22)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of SYK in human B cells assessed as suppression of anti-IgM-induced CD69 surface expression preincubated for 30 mins followed by anti-IgM ...				Bioorg Med Chem Lett 26: 4606-4612 (2016) Article DOI: 10.1016/j.bmcl.2016.08.070
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50535082 (CHEMBL4466696) Show SMILES Cn1cc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCO2)n1 |r| Show InChI InChI=1S/C16H19N7O/c1-23-10-11(7-21-23)13-6-14-15(19-3-2-18-14)16(22-13)20-9-12-8-17-4-5-24-12/h2-3,6-7,10,12,17H,4-5,8-9H2,1H3,(H,20,22)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of LRRK2 (unknown origin)				Bioorg Med Chem Lett 26: 4606-4612 (2016) Article DOI: 10.1016/j.bmcl.2016.08.070
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50535082 (CHEMBL4466696) Show SMILES Cn1cc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCO2)n1 |r| Show InChI InChI=1S/C16H19N7O/c1-23-10-11(7-21-23)13-6-14-15(19-3-2-18-14)16(22-13)20-9-12-8-17-4-5-24-12/h2-3,6-7,10,12,17H,4-5,8-9H2,1H3,(H,20,22)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged full length human recombinant SYK expressed in baculovirus using Biotin-AAAEEIYGEI as substrate after 60 mins by...				Bioorg Med Chem Lett 26: 4606-4612 (2016) Article DOI: 10.1016/j.bmcl.2016.08.070
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50535082 (CHEMBL4466696) Show SMILES Cn1cc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCO2)n1 |r| Show InChI InChI=1S/C16H19N7O/c1-23-10-11(7-21-23)13-6-14-15(19-3-2-18-14)16(22-13)20-9-12-8-17-4-5-24-12/h2-3,6-7,10,12,17H,4-5,8-9H2,1H3,(H,20,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)				Bioorg Med Chem Lett 26: 4606-4612 (2016) Article DOI: 10.1016/j.bmcl.2016.08.070
					More data for this Ligand-Target Pair