BDBM38597 7-(5-chloro-2,4-dimethoxy-anilino)-6-p-anisyl-7H-pyrrolo[3,4-b]pyridin-5-one::7-(5-chloro-2,4-dimethoxyanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one::7-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one::7-[(5-chloro-2,4-dimethoxyphenyl)amino]-6-(4-methoxybenzyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one::MLS000045771::SMR000028168::cid_3238999

SMILES: COc1ccc(Cn2c(Nc3cc(Cl)c(OC)cc3OC)c3[nH]cccc3c2=O)cc1

InChI Key: InChIKey=XUFFGTHHONQRAK-UHFFFAOYSA-N

Data: 3 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 = 38597   

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
mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38597 (7-(5-chloro-2,4-dimethoxy-anilino)-6-p-anisyl-7H-p...) Show SMILES COc1ccc(Cn2c(Nc3cc(Cl)c(OC)cc3OC)c3[nH]cccc3c2=O)cc1 Show InChI InChI=1S/C23H22ClN3O4/c1-29-15-8-6-14(7-9-15)13-27-22(21-16(23(27)28)5-4-10-25-21)26-18-11-17(24)19(30-2)12-20(18)31-3/h4-12,25-26H,13H2,1-3H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38597 (7-(5-chloro-2,4-dimethoxy-anilino)-6-p-anisyl-7H-p...) Show SMILES COc1ccc(Cn2c(Nc3cc(Cl)c(OC)cc3OC)c3[nH]cccc3c2=O)cc1 Show InChI InChI=1S/C23H22ClN3O4/c1-29-15-8-6-14(7-9-15)13-27-22(21-16(23(27)28)5-4-10-25-21)26-18-11-17(24)19(30-2)12-20(18)31-3/h4-12,25-26H,13H2,1-3H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q23X852V
					More data for this Ligand-Target Pair
mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38597 (7-(5-chloro-2,4-dimethoxy-anilino)-6-p-anisyl-7H-p...) Show SMILES COc1ccc(Cn2c(Nc3cc(Cl)c(OC)cc3OC)c3[nH]cccc3c2=O)cc1 Show InChI InChI=1S/C23H22ClN3O4/c1-29-15-8-6-14(7-9-15)13-27-22(21-16(23(27)28)5-4-10-25-21)26-18-11-17(24)19(30-2)12-20(18)31-3/h4-12,25-26H,13H2,1-3H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q27P8WSS
					More data for this Ligand-Target Pair