BDBM50379276 CHEMBL1230119

SMILES: Cc1ccc(cc1)S(=O)(=O)NS(=C)c1ccc(OCc2ccccc2)cc1

InChI Key: InChIKey=AFHDRECALCREPL-UHFFFAOYSA-N

Data: 3 Kd

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 = 50379276   

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
Pirin (Homo sapiens (Human))	BDBM50379276 (CHEMBL1230119) Show SMILES Cc1ccc(cc1)S(=O)(=O)NS(=C)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C21H21NO3S2/c1-17-8-14-21(15-9-17)27(23,24)22-26(2)20-12-10-19(11-13-20)25-16-18-6-4-3-5-7-18/h3-15,22H,2,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a
Broad Institute of Harvard and MIT Curated by ChEMBL					Assay Description Antagonist activity at pirin by ITC assay				Bioorg Med Chem 20: 1979-89 (2012) Article DOI: 10.1016/j.bmc.2011.11.071 BindingDB Entry DOI: 10.7270/Q22J6CVS
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50379276 (CHEMBL1230119) Show SMILES Cc1ccc(cc1)S(=O)(=O)NS(=C)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C21H21NO3S2/c1-17-8-14-21(15-9-17)27(23,24)22-26(2)20-12-10-19(11-13-20)25-16-18-6-4-3-5-7-18/h3-15,22H,2,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to recombinant human pirin by surface plasma resonance method				J Med Chem 60: 180-201 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair
Pirin (Homo sapiens (Human))	BDBM50379276 (CHEMBL1230119) Show SMILES Cc1ccc(cc1)S(=O)(=O)NS(=C)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C21H21NO3S2/c1-17-8-14-21(15-9-17)27(23,24)22-26(2)20-12-10-19(11-13-20)25-16-18-6-4-3-5-7-18/h3-15,22H,2,16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to recombinant human pirin by surface plasma resonance method				J Med Chem 60: 180-201 (2017) BindingDB Entry DOI: 10.7270/Q2KW5J9D
					More data for this Ligand-Target Pair