BDBM11994 2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl}acetic acid::Interchim compound 56

SMILES: Cc1ccc(C)n1-c1ccc(SCC(O)=O)cc1

InChI Key: InChIKey=DASVXRJADIYRNJ-UHFFFAOYSA-N

Data: 2 KI  2 IC50  2 EC50

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 5 hits for monomerid = 11994   

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)	BDBM11994 (2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl...) Show SMILES Cc1ccc(C)n1-c1ccc(SCC(O)=O)cc1 Show InChI InChI=1S/C14H15NO2S/c1-10-3-4-11(2)15(10)12-5-7-13(8-6-12)18-9-14(16)17/h3-8H,9H2,1-2H3,(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	Article PubMed	1.60E+3	-7.95	2.90E+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
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM11994 (2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl...) Show SMILES Cc1ccc(C)n1-c1ccc(SCC(O)=O)cc1 Show InChI InChI=1S/C14H15NO2S/c1-10-3-4-11(2)15(10)12-5-7-13(8-6-12)18-9-14(16)17/h3-8H,9H2,1-2H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studies				J Med Chem 52: 6716-23 (2009) Article DOI: 10.1021/jm901016k BindingDB Entry DOI: 10.7270/Q2VX0GK3
					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM11994 (2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl...) Show SMILES Cc1ccc(C)n1-c1ccc(SCC(O)=O)cc1 Show InChI InChI=1S/C14H15NO2S/c1-10-3-4-11(2)15(10)12-5-7-13(8-6-12)18-9-14(16)17/h3-8H,9H2,1-2H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Swiss Federal Institute of Technology (ETH) Curated by ChEMBL					Assay Description Transactivation of human Gal4-fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay				J Med Chem 61: 5442-5447 (2018) Article DOI: 10.1021/acs.jmedchem.8b00494 BindingDB Entry DOI: 10.7270/Q2J38W5N
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma (Homo sapiens (Human))	BDBM11994 (2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl...) Show SMILES Cc1ccc(C)n1-c1ccc(SCC(O)=O)cc1 Show InChI InChI=1S/C14H15NO2S/c1-10-3-4-11(2)15(10)12-5-7-13(8-6-12)18-9-14(16)17/h3-8H,9H2,1-2H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Swiss Federal Institute of Technology (ETH) Curated by ChEMBL					Assay Description Transactivation of human Gal4-fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assay				J Med Chem 61: 5442-5447 (2018) Article DOI: 10.1021/acs.jmedchem.8b00494 BindingDB Entry DOI: 10.7270/Q2J38W5N
					More data for this Ligand-Target Pair
DnaC helicase (Staphylococcus aureus)	BDBM11994 (2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl...) Show SMILES Cc1ccc(C)n1-c1ccc(SCC(O)=O)cc1 Show InChI InChI=1S/C14H15NO2S/c1-10-3-4-11(2)15(10)12-5-7-13(8-6-12)18-9-14(16)17/h3-8H,9H2,1-2H3,(H,16,17)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Microbiotix, Inc Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus Smith DNA helicase DnaC assessed as strand unwinding after 30 mins by FRET assay				Bioorg Med Chem 17: 4466-76 (2009) Article DOI: 10.1016/j.bmc.2009.05.014 BindingDB Entry DOI: 10.7270/Q22F7NGH
					More data for this Ligand-Target Pair