BDBM50031582 CHEMBL3359169

SMILES: [O-]C(=O)C(F)(F)F.NS(=O)(=O)c1ccc(OCC[NH3+])cc1

InChI Key: InChIKey=LJTIJXBWWHYOQQ-UHFFFAOYSA-O

Data: 4 KI

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 4 hits for monomerid = 50031582   

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
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50031582 (CHEMBL3359169) Show SMILES [O-]C(=O)C(F)(F)F.NS(=O)(=O)c1ccc(OCC[NH3+])cc1 Show InChI InChI=1S/C8H12N2O3S/c9-5-6-13-7-1-3-8(4-2-7)14(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA-9 by stopped flow CO2 hydrase assay				J Med Chem 57: 9673-86 (2014) Article DOI: 10.1021/jm501497m BindingDB Entry DOI: 10.7270/Q2CR5W08
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50031582 (CHEMBL3359169) Show SMILES [O-]C(=O)C(F)(F)F.NS(=O)(=O)c1ccc(OCC[NH3+])cc1 Show InChI InChI=1S/C8H12N2O3S/c9-5-6-13-7-1-3-8(4-2-7)14(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA-2 by stopped flow CO2 hydrase assay				J Med Chem 57: 9673-86 (2014) Article DOI: 10.1021/jm501497m BindingDB Entry DOI: 10.7270/Q2CR5W08
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50031582 (CHEMBL3359169) Show SMILES [O-]C(=O)C(F)(F)F.NS(=O)(=O)c1ccc(OCC[NH3+])cc1 Show InChI InChI=1S/C8H12N2O3S/c9-5-6-13-7-1-3-8(4-2-7)14(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA-12 by stopped flow CO2 hydrase assay				J Med Chem 57: 9673-86 (2014) Article DOI: 10.1021/jm501497m BindingDB Entry DOI: 10.7270/Q2CR5W08
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50031582 (CHEMBL3359169) Show SMILES [O-]C(=O)C(F)(F)F.NS(=O)(=O)c1ccc(OCC[NH3+])cc1 Show InChI InChI=1S/C8H12N2O3S/c9-5-6-13-7-1-3-8(4-2-7)14(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	649	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA-1 by stopped flow CO2 hydrase assay				J Med Chem 57: 9673-86 (2014) Article DOI: 10.1021/jm501497m BindingDB Entry DOI: 10.7270/Q2CR5W08
					More data for this Ligand-Target Pair