BDBM50433629 CHEMBL2380845

SMILES: O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1

InChI Key: InChIKey=XLSPYLMTRXPYKY-UHFFFAOYSA-N

Data: 10 IC50

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 10 hits for monomerid = 50433629   

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
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50433629 (CHEMBL2380845) Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1 Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	819	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research Institute, Inc. Curated by ChEMBL					Assay Description Inhibition of TrkA (unknown origin)				Bioorg Med Chem Lett 23: 3081-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase WNK3 (Homo sapiens (Human))	BDBM50433629 (CHEMBL2380845) Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1 Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	401	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research Institute, Inc. Curated by ChEMBL					Assay Description Inhibition of WNK3 (unknown origin)				Bioorg Med Chem Lett 23: 3081-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase SIK1 (Homo sapiens (Human))	BDBM50433629 (CHEMBL2380845) Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1 Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	211	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research Institute, Inc. Curated by ChEMBL					Assay Description Inhibition of SIK (unknown origin)				Bioorg Med Chem Lett 23: 3081-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z
					More data for this Ligand-Target Pair
Tyrosine kinase non-receptor protein 2 (Homo sapiens (Human))	BDBM50433629 (CHEMBL2380845) Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1 Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research Institute, Inc. Curated by ChEMBL					Assay Description Inhibition of ACK1 (unknown origin)				Bioorg Med Chem Lett 23: 3081-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50433629 (CHEMBL2380845) Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1 Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research Institute, Inc. Curated by ChEMBL					Assay Description Inhibition of aurora-B (unknown origin)				Bioorg Med Chem Lett 23: 3081-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50433629 (CHEMBL2380845) Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1 Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research Institute, Inc. Curated by ChEMBL					Assay Description Inhibition of LIMK1 (unknown origin)				Bioorg Med Chem Lett 23: 3081-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50433629 (CHEMBL2380845) Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1 Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research Institute, Inc. Curated by ChEMBL					Assay Description Inhibition of Ret (unknown origin)				Bioorg Med Chem Lett 23: 3081-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50433629 (CHEMBL2380845) Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1 Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	208	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research Institute, Inc. Curated by ChEMBL					Assay Description Inhibition of aurora-B in human MIAPaCa2 cells assessed as reduction of phosphorylation of histone H3				Bioorg Med Chem Lett 23: 3081-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50433629 (CHEMBL2380845) Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1 Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research Institute, Inc. Curated by ChEMBL					Assay Description Inhibition of aurora-A (unknown origin)				Bioorg Med Chem Lett 23: 3081-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase CHK2 (Homo sapiens (Human))	BDBM50433629 (CHEMBL2380845) Show SMILES O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1 Show InChI InChI=1S/C25H18N4O2/c30-24(16-6-2-1-3-7-16)28-18-12-10-17(11-13-18)27-21-14-15-26-23-22(21)19-8-4-5-9-20(19)25(31)29-23/h1-15H,(H,28,30)(H2,26,27,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research Institute, Inc. Curated by ChEMBL					Assay Description Inhibition of CHK2 (unknown origin)				Bioorg Med Chem Lett 23: 3081-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.008 BindingDB Entry DOI: 10.7270/Q2QN686Z
					More data for this Ligand-Target Pair