BDBM50494811 CHEMBL3094350

SMILES: CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(C)(CC1)C(O)=O

InChI Key: InChIKey=VWGVZRSKDSKOCX-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50494811   

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
DNA Gyrase (Staphylococcus aureus)	BDBM50494811 (CHEMBL3094350) Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(C)(CC1)C(O)=O Show InChI InChI=1S/C26H27N7O3S/c1-3-27-24(36)32-25-31-20-13-16(12-18(21(20)37-25)19-6-4-5-9-28-19)17-14-29-23(30-15-17)33-10-7-26(2,8-11-33)22(34)35/h4-6,9,12-15H,3,7-8,10-11H2,1-2H3,(H,34,35)(H2,27,31,32,36)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15.5	n/a	n/a	n/a	n/a	n/a	n/a
Biota Holdings Ltd Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA gyrase ATPase subunit GyrA2/GyrB2 after 60 mins by malachite green staining assay				Bioorg Med Chem Lett 23: 6598-603 (2013) Article DOI: 10.1016/j.bmcl.2013.10.058 BindingDB Entry DOI: 10.7270/Q2HD7ZMQ
					More data for this Ligand-Target Pair
DNA Gyrase (Escherichia coli (strain K12))	BDBM50494811 (CHEMBL3094350) Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(C)(CC1)C(O)=O Show InChI InChI=1S/C26H27N7O3S/c1-3-27-24(36)32-25-31-20-13-16(12-18(21(20)37-25)19-6-4-5-9-28-19)17-14-29-23(30-15-17)33-10-7-26(2,8-11-33)22(34)35/h4-6,9,12-15H,3,7-8,10-11H2,1-2H3,(H,34,35)(H2,27,31,32,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD4 bromodomain 1 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details
					More data for this Ligand-Target Pair
Topoisomerase IV (Staphylococcus aureus)	BDBM50494811 (CHEMBL3094350) Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(C)(CC1)C(O)=O Show InChI InChI=1S/C26H27N7O3S/c1-3-27-24(36)32-25-31-20-13-16(12-18(21(20)37-25)19-6-4-5-9-28-19)17-14-29-23(30-15-17)33-10-7-26(2,8-11-33)22(34)35/h4-6,9,12-15H,3,7-8,10-11H2,1-2H3,(H,34,35)(H2,27,31,32,36)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15.5	n/a	n/a	n/a	n/a	n/a	n/a
Biota Holdings Ltd Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DNA topoisomerase 4 subunit ParC2/ParE2 after 60 mins by malachite green staining assay				Bioorg Med Chem Lett 23: 6598-603 (2013) Article DOI: 10.1016/j.bmcl.2013.10.058 BindingDB Entry DOI: 10.7270/Q2HD7ZMQ
					More data for this Ligand-Target Pair