BDBM283 6-[(8-chloro-4-hydroxy-3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzene]amido}-2-oxo-2H-chromen-7-yl)oxy]-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl 5-methyl-1H-pyrrole-2-carboxylate::Clorobiocin::Coumarin-Based, DNA Gyrase Inhibitor::cid_54677920

SMILES: COC1C(OC(=O)c2ccc(C)[nH]2)C(O)C(Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C

InChI Key: InChIKey=FJAQNRBDVKIIKK-UHFFFAOYSA-N

Data: 3 IC50  1 ITC

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 3 hits for monomerid = 283   

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
hypothetical protein SA1422 (Staphylococcus aureus subsp. aureus N315)	BDBM283 (6-[(8-chloro-4-hydroxy-3-{[4-hydroxy-3-(3-methylbu...) Show SMILES COC1C(OC(=O)c2ccc(C)[nH]2)C(O)C(Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C |(-11.67,5.02,;-11.54,3.68,;-10.41,2.64,;-9.47,1.42,;-9.65,-.11,;-9.68,-1.17,;-8.71,-2.36,;-10.68,-1.93,;-11.03,-.43,;-13.62,-1.04,;-13.27,-2.54,;-14.39,-3.59,;-11.8,-2.98,;-7.94,1.61,;-8.07,.08,;-7.35,3.03,;-6.07,3.72,;-4.54,3.57,;-4.54,2.03,;-3.21,1.26,;-1.87,2.03,;-.54,1.26,;-.54,-.28,;.79,2.03,;1.98,1.05,;3.09,1.05,;3.55,-.42,;4.14,1.87,;4.14,3.41,;5.48,4.18,;6.81,3.41,;7.98,4.41,;6.81,1.87,;7.64,1.05,;8.4,1.75,;9.16,.93,;9.22,-.17,;10.21,1.4,;5.48,1.1,;.79,3.57,;2.05,4.46,;-.54,4.34,;-1.87,3.57,;-3.21,4.34,;-3.1,6.11,;-8.29,4.26,;-9.81,4.06,;-9.92,5.25,;-9.68,3.15,)| Show InChI InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	7.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BV7F7H
					More data for this Ligand-Target Pair
UDP-galactose 4-epimerase (Trypanosoma brucei)	BDBM283 (6-[(8-chloro-4-hydroxy-3-{[4-hydroxy-3-(3-methylbu...) Show SMILES COC1C(OC(=O)c2ccc(C)[nH]2)C(O)C(Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C |(-11.67,5.02,;-11.54,3.68,;-10.41,2.64,;-9.47,1.42,;-9.65,-.11,;-9.68,-1.17,;-8.71,-2.36,;-10.68,-1.93,;-11.03,-.43,;-13.62,-1.04,;-13.27,-2.54,;-14.39,-3.59,;-11.8,-2.98,;-7.94,1.61,;-8.07,.08,;-7.35,3.03,;-6.07,3.72,;-4.54,3.57,;-4.54,2.03,;-3.21,1.26,;-1.87,2.03,;-.54,1.26,;-.54,-.28,;.79,2.03,;1.98,1.05,;3.09,1.05,;3.55,-.42,;4.14,1.87,;4.14,3.41,;5.48,4.18,;6.81,3.41,;7.98,4.41,;6.81,1.87,;7.64,1.05,;8.4,1.75,;9.16,.93,;9.22,-.17,;10.21,1.4,;5.48,1.1,;.79,3.57,;2.05,4.46,;-.54,4.34,;-1.87,3.57,;-3.21,4.34,;-3.1,6.11,;-8.29,4.26,;-9.81,4.06,;-9.92,5.25,;-9.68,3.15,)| Show InChI InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Diego Curated by ChEMBL					Assay Description Inhibition of hexahistidine-tagged Trypanosoma brucei UDP-galactose-4'epimerase expressed in Escherichia coli				J Med Chem 53: 5025-32 (2010) Article DOI: 10.1021/jm100456a BindingDB Entry DOI: 10.7270/Q2M045N9
					More data for this Ligand-Target Pair
HuR RNA binding protein (Homo sapiens (Human))	BDBM283 (6-[(8-chloro-4-hydroxy-3-{[4-hydroxy-3-(3-methylbu...) Show SMILES COC1C(OC(=O)c2ccc(C)[nH]2)C(O)C(Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C |(-11.67,5.02,;-11.54,3.68,;-10.41,2.64,;-9.47,1.42,;-9.65,-.11,;-9.68,-1.17,;-8.71,-2.36,;-10.68,-1.93,;-11.03,-.43,;-13.62,-1.04,;-13.27,-2.54,;-14.39,-3.59,;-11.8,-2.98,;-7.94,1.61,;-8.07,.08,;-7.35,3.03,;-6.07,3.72,;-4.54,3.57,;-4.54,2.03,;-3.21,1.26,;-1.87,2.03,;-.54,1.26,;-.54,-.28,;.79,2.03,;1.98,1.05,;3.09,1.05,;3.55,-.42,;4.14,1.87,;4.14,3.41,;5.48,4.18,;6.81,3.41,;7.98,4.41,;6.81,1.87,;7.64,1.05,;8.4,1.75,;9.16,.93,;9.22,-.17,;10.21,1.4,;5.48,1.1,;.79,3.57,;2.05,4.46,;-.54,4.34,;-1.87,3.57,;-3.21,4.34,;-3.1,6.11,;-8.29,4.26,;-9.81,4.06,;-9.92,5.25,;-9.68,3.15,)| Show InChI InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	4.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
11762 Curated by PubChem BioAssay									PubChem Bioassay (2015) BindingDB Entry DOI: 10.7270/Q2HQ3XQ7
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 283

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
DNA Gyrase (Escherichia coli)	BDBM283 (6-[(8-chloro-4-hydroxy-3-{[4-hydroxy-3-(3-methylbu...)	GoogleScholar PDB	PC cid PC sid PDB		-12.2	-2.73	-9.46	8.93	7.5	25
UMR CNRS 6032					Biochemistry 41: 7217-23 (2002)