BDBM50207913 CHEMBL3962337

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

InChI Key: InChIKey=UTCOXZLYPCIVGE-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 = 50207913   

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))	BDBM50207913 (CHEMBL3962337) Show SMILES [Na+].CC(=O)NC1CCCN(C1)C([S-])=S Show InChI InChI=1S/C8H14N2OS2.Na/c1-6(11)9-7-3-2-4-10(5-7)8(12)13;/h7H,2-5H2,1H3,(H,9,11)(H,12,13);/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	Article PubMed	48	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))	BDBM50207913 (CHEMBL3962337) Show SMILES [Na+].CC(=O)NC1CCCN(C1)C([S-])=S Show InChI InChI=1S/C8H14N2OS2.Na/c1-6(11)9-7-3-2-4-10(5-7)8(12)13;/h7H,2-5H2,1H3,(H,9,11)(H,12,13);/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	Article PubMed	910	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