BDBM50433630 CHEMBL2380834

SMILES: Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(c1)C(F)(F)F

InChI Key: InChIKey=XISIJMIPHPQCQQ-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50433630   

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
Serine/threonine-protein kinase CHK2 (Homo sapiens (Human))	BDBM50433630 (CHEMBL2380834) Show SMILES Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H16F4N4O2/c27-14-5-10-19(20(13-14)26(28,29)30)25(36)33-16-8-6-15(7-9-16)32-21-11-12-31-23-22(21)17-3-1-2-4-18(17)24(35)34-23/h1-13H,(H,33,36)(H2,31,32,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	161	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
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50433630 (CHEMBL2380834) Show SMILES Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H16F4N4O2/c27-14-5-10-19(20(13-14)26(28,29)30)25(36)33-16-8-6-15(7-9-16)32-21-11-12-31-23-22(21)17-3-1-2-4-18(17)24(35)34-23/h1-13H,(H,33,36)(H2,31,32,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	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))	BDBM50433630 (CHEMBL2380834) Show SMILES Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H16F4N4O2/c27-14-5-10-19(20(13-14)26(28,29)30)25(36)33-16-8-6-15(7-9-16)32-21-11-12-31-23-22(21)17-3-1-2-4-18(17)24(35)34-23/h1-13H,(H,33,36)(H2,31,32,34,35)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	706	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))	BDBM50433630 (CHEMBL2380834) Show SMILES Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H16F4N4O2/c27-14-5-10-19(20(13-14)26(28,29)30)25(36)33-16-8-6-15(7-9-16)32-21-11-12-31-23-22(21)17-3-1-2-4-18(17)24(35)34-23/h1-13H,(H,33,36)(H2,31,32,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	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
Aurora kinase B (Homo sapiens (Human))	BDBM50433630 (CHEMBL2380834) Show SMILES Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H16F4N4O2/c27-14-5-10-19(20(13-14)26(28,29)30)25(36)33-16-8-6-15(7-9-16)32-21-11-12-31-23-22(21)17-3-1-2-4-18(17)24(35)34-23/h1-13H,(H,33,36)(H2,31,32,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	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))	BDBM50433630 (CHEMBL2380834) Show SMILES Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H16F4N4O2/c27-14-5-10-19(20(13-14)26(28,29)30)25(36)33-16-8-6-15(7-9-16)32-21-11-12-31-23-22(21)17-3-1-2-4-18(17)24(35)34-23/h1-13H,(H,33,36)(H2,31,32,34,35)	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	0.300	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
Macrophage colony stimulating factor receptor (Homo sapiens (Human))	BDBM50433630 (CHEMBL2380834) Show SMILES Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H16F4N4O2/c27-14-5-10-19(20(13-14)26(28,29)30)25(36)33-16-8-6-15(7-9-16)32-21-11-12-31-23-22(21)17-3-1-2-4-18(17)24(35)34-23/h1-13H,(H,33,36)(H2,31,32,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	575	n/a	n/a	n/a	n/a	n/a	n/a
EMD Serono Research Institute, Inc. Curated by ChEMBL					Assay Description Inhibition of Fms (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