BDBM50330292 (2R,3R,4R,5R)-2-(3-(3-allyl-4-hydroxybenzamido)-4-hydroxy-8-methyl-2-oxo-2H-chromen-7-yloxy)-4-hydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-3-yl 5-methyl-1H-pyrrole-2-carboxylate::CHEMBL1275900

SMILES: CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C)c4)c(=O)oc3c2C)OC1(C)C

InChI Key: InChIKey=UGFUKEQRKJXIPK-DBPUXHPHSA-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 2 hits for monomerid = 50330292   

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 Subunit B (Escherichia coli (strain K12))	BDBM50330292 ((2R,3R,4R,5R)-2-(3-(3-allyl-4-hydroxybenzamido)-4-...) Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C)c4)c(=O)oc3c2C)OC1(C)C |r| Show InChI InChI=1S/C34H36N2O11/c1-7-8-18-15-19(10-13-22(18)37)30(40)36-24-25(38)20-11-14-23(17(3)27(20)45-32(24)42)44-33-28(26(39)29(43-6)34(4,5)47-33)46-31(41)21-12-9-16(2)35-21/h7,9-15,26,28-29,33,35,37-39H,1,8H2,2-6H3,(H,36,40)/t26-,28+,29+,33+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair
DNA Gyrase Subunit B (Escherichia coli (strain K12))	BDBM50330292 ((2R,3R,4R,5R)-2-(3-(3-allyl-4-hydroxybenzamido)-4-...) Show SMILES CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C)c4)c(=O)oc3c2C)OC1(C)C |r| Show InChI InChI=1S/C34H36N2O11/c1-7-8-18-15-19(10-13-22(18)37)30(40)36-24-25(38)20-11-14-23(17(3)27(20)45-32(24)42)44-33-28(26(39)29(43-6)34(4,5)47-33)46-31(41)21-12-9-16(2)35-21/h7,9-15,26,28-29,33,35,37-39H,1,8H2,2-6H3,(H,36,40)/t26-,28+,29+,33+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Universität Tübingen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay				Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J
					More data for this Ligand-Target Pair