BDBM50207985 CHEMBL3923883

SMILES: [Na+].CC(C)(C)OC(=O)NC1CCCN(C1)C([S-])=S

InChI Key: InChIKey=NPIJLGWJYLNNQZ-UHFFFAOYSA-M

Data: 2 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 2 hits for monomerid = 50207985   

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))	BDBM50207985 (CHEMBL3923883) Show SMILES [Na+].CC(C)(C)OC(=O)NC1CCCN(C1)C([S-])=S Show InChI InChI=1S/C11H20N2O2S2.Na/c1-11(2,3)15-9(14)12-8-5-4-6-13(7-8)10(16)17;/h8H,4-7H2,1-3H3,(H,12,14)(H,16,17);/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	13	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 1 (Homo sapiens (Human))	BDBM50207985 (CHEMBL3923883) Show SMILES [Na+].CC(C)(C)OC(=O)NC1CCCN(C1)C([S-])=S Show InChI InChI=1S/C11H20N2O2S2.Na/c1-11(2,3)15-9(14)12-8-5-4-6-13(7-8)10(16)17;/h8H,4-7H2,1-3H3,(H,12,14)(H,16,17);/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	683	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