BDBM50330294 (2R,3R,4R,5R)-2-(3-(4-amino-3-methylbenzamido)-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::CHEMBL1275898

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

InChI Key: InChIKey=PGIHTKXHNIULIK-FWTOBACQSA-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 = 50330294   

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))	BDBM50330294 ((2R,3R,4R,5R)-2-(3-(4-amino-3-methylbenzamido)-4-h...) 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(N)c(C)c4)c(=O)oc3c2C)OC1(C)C |r| Show InChI InChI=1S/C32H35N3O10/c1-14-13-17(8-10-19(14)33)28(38)35-22-23(36)18-9-12-21(16(3)25(18)43-30(22)40)42-31-26(24(37)27(41-6)32(4,5)45-31)44-29(39)20-11-7-15(2)34-20/h7-13,24,26-27,31,34,36-37H,33H2,1-6H3,(H,35,38)/t24-,26+,27+,31+/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	784	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))	BDBM50330294 ((2R,3R,4R,5R)-2-(3-(4-amino-3-methylbenzamido)-4-h...) 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(N)c(C)c4)c(=O)oc3c2C)OC1(C)C |r| Show InChI InChI=1S/C32H35N3O10/c1-14-13-17(8-10-19(14)33)28(38)35-22-23(36)18-9-12-21(16(3)25(18)43-30(22)40)42-31-26(24(37)27(41-6)32(4,5)45-31)44-29(39)20-11-7-15(2)34-20/h7-13,24,26-27,31,34,36-37H,33H2,1-6H3,(H,35,38)/t24-,26+,27+,31+/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	190	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