BDBM50004947 CHEMBL2380750

SMILES: [K+].[S-]C(=S)OCC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=QGXOTXNKZBHCAR-UHFFFAOYSA-M

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 = 50004947   

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 2 (Homo sapiens (Human))	BDBM50004947 (CHEMBL2380750) Show SMILES [K+].[S-]C(=S)OCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C15H14OS2.K/c17-15(18)16-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,14H,11H2,(H,17,18);/q;+1/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	5.40	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 recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 56: 4691-700 (2013) Article DOI: 10.1021/jm400414j BindingDB Entry DOI: 10.7270/Q2M61MSD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50004947 (CHEMBL2380750) Show SMILES [K+].[S-]C(=S)OCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C15H14OS2.K/c17-15(18)16-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,14H,11H2,(H,17,18);/q;+1/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	58	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 recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 56: 4691-700 (2013) Article DOI: 10.1021/jm400414j BindingDB Entry DOI: 10.7270/Q2M61MSD
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50004947 (CHEMBL2380750) Show SMILES [K+].[S-]C(=S)OCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C15H14OS2.K/c17-15(18)16-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,14H,11H2,(H,17,18);/q;+1/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	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 recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 56: 4691-700 (2013) Article DOI: 10.1021/jm400414j BindingDB Entry DOI: 10.7270/Q2M61MSD
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50004947 (CHEMBL2380750) Show SMILES [K+].[S-]C(=S)OCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C15H14OS2.K/c17-15(18)16-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,14H,11H2,(H,17,18);/q;+1/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	64	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 recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 56: 4691-700 (2013) Article DOI: 10.1021/jm400414j BindingDB Entry DOI: 10.7270/Q2M61MSD
					More data for this Ligand-Target Pair