BDBM50118345 CHEMBL3612514

SMILES: Cc1ccc(cc1S(=O)(=O)n1cc(cn1)-c1cnn2ccc(Cl)nc12)[N+]([O-])=O

InChI Key: InChIKey=OQOSJDFXPZMLPT-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50118345   

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
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50118345 (CHEMBL3612514) Show SMILES Cc1ccc(cc1S(=O)(=O)n1cc(cn1)-c1cnn2ccc(Cl)nc12)[N+]([O-])=O Show InChI InChI=1S/C16H11ClN6O4S/c1-10-2-3-12(23(24)25)6-14(10)28(26,27)22-9-11(7-19-22)13-8-18-21-5-4-15(17)20-16(13)21/h2-9H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin) by radiometric assay				Bioorg Med Chem 23: 6280-96 (2015) BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50118345 (CHEMBL3612514) Show SMILES Cc1ccc(cc1S(=O)(=O)n1cc(cn1)-c1cnn2ccc(Cl)nc12)[N+]([O-])=O Show InChI InChI=1S/C16H11ClN6O4S/c1-10-2-3-12(23(24)25)6-14(10)28(26,27)22-9-11(7-19-22)13-8-18-21-5-4-15(17)20-16(13)21/h2-9H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2 as substrate after 90 mins b...				Bioorg Med Chem 23: 6280-96 (2015) BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50118345 (CHEMBL3612514) Show SMILES Cc1ccc(cc1S(=O)(=O)n1cc(cn1)-c1cnn2ccc(Cl)nc12)[N+]([O-])=O Show InChI InChI=1S/C16H11ClN6O4S/c1-10-2-3-12(23(24)25)6-14(10)28(26,27)22-9-11(7-19-22)13-8-18-21-5-4-15(17)20-16(13)21/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of recombinant human CDK9/cyclin-T1 using H-YSPTSPSYSPTSPSYSPTSPS-KKKK-OH as substrate after 90 mins by luminescence assay				Bioorg Med Chem 23: 6280-96 (2015) BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50118345 (CHEMBL3612514) Show SMILES Cc1ccc(cc1S(=O)(=O)n1cc(cn1)-c1cnn2ccc(Cl)nc12)[N+]([O-])=O Show InChI InChI=1S/C16H11ClN6O4S/c1-10-2-3-12(23(24)25)6-14(10)28(26,27)22-9-11(7-19-22)13-8-18-21-5-4-15(17)20-16(13)21/h2-9H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	194	n/a	n/a	n/a	n/a	n/a	n/a
The University of Melbourne Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) by radiometric assay				Bioorg Med Chem 23: 6280-96 (2015) BindingDB Entry DOI: 10.7270/Q2KK9DM6
					More data for this Ligand-Target Pair