BDBM50437838 CHEMBL2407749

SMILES: O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1

InChI Key: InChIKey=CZFUYZPXZGGWKC-SRQUHQSVSA-N

Data: 20 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 20 hits for monomerid = 50437838   

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
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50437838 (CHEMBL2407749) Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 Show InChI InChI=1S/C23H16N4O/c28-23-19(17-3-1-2-4-20(17)25-23)13-16-5-7-18-21(26-27-22(18)14-16)8-6-15-9-11-24-12-10-15/h1-14H,(H,25,28)(H,26,27)/b8-6+,19-13+	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin) using CEC as substrate after 15 mins by fluorescence assay				J Med Chem 56: 6069-87 (2013) Article DOI: 10.1021/jm400380m BindingDB Entry DOI: 10.7270/Q2HM59V9
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50437838 (CHEMBL2407749) Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 Show InChI InChI=1S/C23H16N4O/c28-23-19(17-3-1-2-4-20(17)25-23)13-16-5-7-18-21(26-27-22(18)14-16)8-6-15-9-11-24-12-10-15/h1-14H,(H,25,28)(H,26,27)/b8-6+,19-13+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) by FRET-based homogeneous assay				J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2125V9W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50437838 (CHEMBL2407749) Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 Show InChI InChI=1S/C23H16N4O/c28-23-19(17-3-1-2-4-20(17)25-23)13-16-5-7-18-21(26-27-22(18)14-16)8-6-15-9-11-24-12-10-15/h1-14H,(H,25,28)(H,26,27)/b8-6+,19-13+	PDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of PLK2 (unknown origin) by FRET-based homogeneous assay				J Med Chem 56: 6069-87 (2013) Article DOI: 10.1021/jm400380m BindingDB Entry DOI: 10.7270/Q2HM59V9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50437838 (CHEMBL2407749) Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 Show InChI InChI=1S/C23H16N4O/c28-23-19(17-3-1-2-4-20(17)25-23)13-16-5-7-18-21(26-27-22(18)14-16)8-6-15-9-11-24-12-10-15/h1-14H,(H,25,28)(H,26,27)/b8-6+,19-13+	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of PLK1 (unknown origin) by FRET-based homogeneous assay				J Med Chem 56: 6069-87 (2013) Article DOI: 10.1021/jm400380m BindingDB Entry DOI: 10.7270/Q2HM59V9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM50437838 (CHEMBL2407749) Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 Show InChI InChI=1S/C23H16N4O/c28-23-19(17-3-1-2-4-20(17)25-23)13-16-5-7-18-21(26-27-22(18)14-16)8-6-15-9-11-24-12-10-15/h1-14H,(H,25,28)(H,26,27)/b8-6+,19-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ...				J Med Chem 56: 6069-87 (2013) Article DOI: 10.1021/jm400380m BindingDB Entry DOI: 10.7270/Q2HM59V9
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50437838 (CHEMBL2407749) Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 Show InChI InChI=1S/C23H16N4O/c28-23-19(17-3-1-2-4-20(17)25-23)13-16-5-7-18-21(26-27-22(18)14-16)8-6-15-9-11-24-12-10-15/h1-14H,(H,25,28)(H,26,27)/b8-6+,19-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin) using MFC as substrate after 45 mins by fluorescence assay				J Med Chem 56: 6069-87 (2013) Article DOI: 10.1021/jm400380m BindingDB Entry DOI: 10.7270/Q2HM59V9
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50437838 (CHEMBL2407749) Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 Show InChI InChI=1S/C23H16N4O/c28-23-19(17-3-1-2-4-20(17)25-23)13-16-5-7-18-21(26-27-22(18)14-16)8-6-15-9-11-24-12-10-15/h1-14H,(H,25,28)(H,26,27)/b8-6+,19-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin) using MFC as substrate after 30 mins by fluorescence assay				J Med Chem 56: 6069-87 (2013) Article DOI: 10.1021/jm400380m BindingDB Entry DOI: 10.7270/Q2HM59V9
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50437838 (CHEMBL2407749) Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 Show InChI InChI=1S/C23H16N4O/c28-23-19(17-3-1-2-4-20(17)25-23)13-16-5-7-18-21(26-27-22(18)14-16)8-6-15-9-11-24-12-10-15/h1-14H,(H,25,28)(H,26,27)/b8-6+,19-13+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin) using AMMC as substrate after 30 mins by fluorescence assay				J Med Chem 56: 6069-87 (2013) Article DOI: 10.1021/jm400380m BindingDB Entry DOI: 10.7270/Q2HM59V9
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50437838 (CHEMBL2407749) Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 Show InChI InChI=1S/C23H16N4O/c28-23-19(17-3-1-2-4-20(17)25-23)13-16-5-7-18-21(26-27-22(18)14-16)8-6-15-9-11-24-12-10-15/h1-14H,(H,25,28)(H,26,27)/b8-6+,19-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin) using MFC substrate after 30 mins by fluorescence assay				J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2125V9W
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50437838 (CHEMBL2407749) Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 Show InChI InChI=1S/C23H16N4O/c28-23-19(17-3-1-2-4-20(17)25-23)13-16-5-7-18-21(26-27-22(18)14-16)8-6-15-9-11-24-12-10-15/h1-14H,(H,25,28)(H,26,27)/b8-6+,19-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin) using MFC substrate after 45 mins by fluorescence assay				J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2125V9W
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50437838 (CHEMBL2407749) Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 Show InChI InChI=1S/C23H16N4O/c28-23-19(17-3-1-2-4-20(17)25-23)13-16-5-7-18-21(26-27-22(18)14-16)8-6-15-9-11-24-12-10-15/h1-14H,(H,25,28)(H,26,27)/b8-6+,19-13+	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin) using CEC substrate after 15 mins by fluorescence assay				J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2125V9W
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50437838 (CHEMBL2407749) Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 Show InChI InChI=1S/C23H16N4O/c28-23-19(17-3-1-2-4-20(17)25-23)13-16-5-7-18-21(26-27-22(18)14-16)8-6-15-9-11-24-12-10-15/h1-14H,(H,25,28)(H,26,27)/b8-6+,19-13+	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	34	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin) by FRET-based homogeneous assay				J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2125V9W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM50437838 (CHEMBL2407749) Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 Show InChI InChI=1S/C23H16N4O/c28-23-19(17-3-1-2-4-20(17)25-23)13-16-5-7-18-21(26-27-22(18)14-16)8-6-15-9-11-24-12-10-15/h1-14H,(H,25,28)(H,26,27)/b8-6+,19-13+	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of PLK3 (unknown origin) by FRET-based homogeneous assay				J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2125V9W
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50437838 (CHEMBL2407749) Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 Show InChI InChI=1S/C23H16N4O/c28-23-19(17-3-1-2-4-20(17)25-23)13-16-5-7-18-21(26-27-22(18)14-16)8-6-15-9-11-24-12-10-15/h1-14H,(H,25,28)(H,26,27)/b8-6+,19-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of AURKB (unknown origin) by FRET-based homogeneous assay				J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2125V9W
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50437838 (CHEMBL2407749) Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 Show InChI InChI=1S/C23H16N4O/c28-23-19(17-3-1-2-4-20(17)25-23)13-16-5-7-18-21(26-27-22(18)14-16)8-6-15-9-11-24-12-10-15/h1-14H,(H,25,28)(H,26,27)/b8-6+,19-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using BFC substrate after 30 mins by fluorescence assay				J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2125V9W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50437838 (CHEMBL2407749) Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 Show InChI InChI=1S/C23H16N4O/c28-23-19(17-3-1-2-4-20(17)25-23)13-16-5-7-18-21(26-27-22(18)14-16)8-6-15-9-11-24-12-10-15/h1-14H,(H,25,28)(H,26,27)/b8-6+,19-13+	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of PLK1 (unknown origin) by FRET-based homogeneous assay				J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2125V9W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50437838 (CHEMBL2407749) Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 Show InChI InChI=1S/C23H16N4O/c28-23-19(17-3-1-2-4-20(17)25-23)13-16-5-7-18-21(26-27-22(18)14-16)8-6-15-9-11-24-12-10-15/h1-14H,(H,25,28)(H,26,27)/b8-6+,19-13+	PDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of PLK2 (unknown origin) by FRET-based homogeneous assay				J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2125V9W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM50437838 (CHEMBL2407749) Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 Show InChI InChI=1S/C23H16N4O/c28-23-19(17-3-1-2-4-20(17)25-23)13-16-5-7-18-21(26-27-22(18)14-16)8-6-15-9-11-24-12-10-15/h1-14H,(H,25,28)(H,26,27)/b8-6+,19-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged PLK4 (1 to 391 residues) expressed in Escherichia coli incubated for 30 mins by ELISA method				J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2125V9W
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50437838 (CHEMBL2407749) Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 Show InChI InChI=1S/C23H16N4O/c28-23-19(17-3-1-2-4-20(17)25-23)13-16-5-7-18-21(26-27-22(18)14-16)8-6-15-9-11-24-12-10-15/h1-14H,(H,25,28)(H,26,27)/b8-6+,19-13+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin) using AMMC substrate after 45 mins by fluorescence assay				J Med Chem 58: 130-46 (2015) Article DOI: 10.1021/jm5005336 BindingDB Entry DOI: 10.7270/Q2125V9W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM50437838 (CHEMBL2407749) Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 Show InChI InChI=1S/C23H16N4O/c28-23-19(17-3-1-2-4-20(17)25-23)13-16-5-7-18-21(26-27-22(18)14-16)8-6-15-9-11-24-12-10-15/h1-14H,(H,25,28)(H,26,27)/b8-6+,19-13+	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of PLK3 (unknown origin) by FRET-based homogeneous assay				J Med Chem 56: 6069-87 (2013) Article DOI: 10.1021/jm400380m BindingDB Entry DOI: 10.7270/Q2HM59V9
					More data for this Ligand-Target Pair