BDBM11995 2-chloro-5-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid::Interchim compound 57

SMILES: Cc1ccc(C)n1-c1ccc(Cl)c(c1)C(O)=O

InChI Key: InChIKey=ZKMKAGTWPRBWAK-UHFFFAOYSA-N

Data: 1 KI  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 = 11995   

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
Anthrax Lethal Factor (LF) (Bacillus anthracis)	BDBM11995 (2-chloro-5-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic ac...) Show SMILES Cc1ccc(C)n1-c1ccc(Cl)c(c1)C(O)=O Show InChI InChI=1S/C13H12ClNO2/c1-8-3-4-9(2)15(8)10-5-6-12(14)11(7-10)13(16)17/h3-7H,1-2H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	5.60E+3	-7.21	6.80E+3	n/a	n/a	n/a	n/a	7.2	27
Montana State University					Assay Description For selected lead compounds from fluorescence-based high-throughput screening, the concentrations of inhibitor that caused 50% inhibition of enzymati...				J Med Chem 49: 5232-44 (2006) Article DOI: 10.1021/jm0605132 BindingDB Entry DOI: 10.7270/Q20C4T19
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM11995 (2-chloro-5-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic ac...) Show SMILES Cc1ccc(C)n1-c1ccc(Cl)c(c1)C(O)=O Show InChI InChI=1S/C13H12ClNO2/c1-8-3-4-9(2)15(8)10-5-6-12(14)11(7-10)13(16)17/h3-7H,1-2H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Siberian Branch of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Tdp1 (unknown origin)				Eur J Med Chem 161: 581-593 (2019) Article DOI: 10.1016/j.ejmech.2018.10.055
					More data for this Ligand-Target Pair
Pyruvate kinase (PKM2) (Homo sapiens (Human))	BDBM11995 (2-chloro-5-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic ac...) Show SMILES Cc1ccc(C)n1-c1ccc(Cl)c(c1)C(O)=O Show InChI InChI=1S/C13H12ClNO2/c1-8-3-4-9(2)15(8)10-5-6-12(14)11(7-10)13(16)17/h3-7H,1-2H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Beth Israel Deaconess Medical Center, Inc. US Patent					Assay Description Primary screening was performed using PKM2 in the presence of FBP. Compounds were chosen as potential "hits" if the compound demonstrated inhibition ...				US Patent US8877791 (2014) BindingDB Entry DOI: 10.7270/Q2D21WBN
					More data for this Ligand-Target Pair