BDBM50067949 CHEMBL3400805

SMILES: [Na+].OC1CCCN(C1)C([S-])=S

InChI Key: InChIKey=IQZCKZOEVWQZMK-UHFFFAOYSA-M

Data: 6 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 6 hits for monomerid = 50067949   

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))	BDBM50067949 (CHEMBL3400805) Show SMILES [Na+].OC1CCCN(C1)C([S-])=S Show InChI InChI=1S/C6H11NOS2/c8-5-2-1-3-7(4-5)6(9)10/h5,8H,1-4H2,(H,9,10)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.60	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 recombinant carbonic anhydrase 9 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 2368-76 (2015) Article DOI: 10.1016/j.bmc.2015.03.068 BindingDB Entry DOI: 10.7270/Q2XW4MHN
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50067949 (CHEMBL3400805) Show SMILES [Na+].OC1CCCN(C1)C([S-])=S Show InChI InChI=1S/C6H11NOS2/c8-5-2-1-3-7(4-5)6(9)10/h5,8H,1-4H2,(H,9,10)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	46	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 recombinant carbonic anhydrase 12 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 2368-76 (2015) Article DOI: 10.1016/j.bmc.2015.03.068 BindingDB Entry DOI: 10.7270/Q2XW4MHN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50067949 (CHEMBL3400805) Show SMILES [Na+].OC1CCCN(C1)C([S-])=S Show InChI InChI=1S/C6H11NOS2/c8-5-2-1-3-7(4-5)6(9)10/h5,8H,1-4H2,(H,9,10)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	61	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 erythrocyte carbonic anhydrase 2 preincubated for 15 mins prior to testing by bromothymol blue-based stopped-flow CO2 hydration a...				Bioorg Med Chem 25: 1260-1265 (2017) Article DOI: 10.1016/j.bmc.2016.12.040 BindingDB Entry DOI: 10.7270/Q2BP04SK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50067949 (CHEMBL3400805) Show SMILES [Na+].OC1CCCN(C1)C([S-])=S Show InChI InChI=1S/C6H11NOS2/c8-5-2-1-3-7(4-5)6(9)10/h5,8H,1-4H2,(H,9,10)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	61	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 recombinant carbonic anhydrase 2 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 2368-76 (2015) Article DOI: 10.1016/j.bmc.2015.03.068 BindingDB Entry DOI: 10.7270/Q2XW4MHN
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50067949 (CHEMBL3400805) Show SMILES [Na+].OC1CCCN(C1)C([S-])=S Show InChI InChI=1S/C6H11NOS2/c8-5-2-1-3-7(4-5)6(9)10/h5,8H,1-4H2,(H,9,10)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	428	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 erythrocyte carbonic anhydrase 1 preincubated for 15 mins prior to testing by bromothymol blue-based stopped-flow CO2 hydration a...				Bioorg Med Chem 25: 1260-1265 (2017) Article DOI: 10.1016/j.bmc.2016.12.040 BindingDB Entry DOI: 10.7270/Q2BP04SK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50067949 (CHEMBL3400805) Show SMILES [Na+].OC1CCCN(C1)C([S-])=S Show InChI InChI=1S/C6H11NOS2/c8-5-2-1-3-7(4-5)6(9)10/h5,8H,1-4H2,(H,9,10)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	428	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 recombinant carbonic anhydrase 1 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 2368-76 (2015) Article DOI: 10.1016/j.bmc.2015.03.068 BindingDB Entry DOI: 10.7270/Q2XW4MHN
					More data for this Ligand-Target Pair