BDBM50067993 CHEMBL3400797

SMILES: [K+].CN(C)CCNC([S-])=S

InChI Key: InChIKey=HZMRUOHWKQPMMG-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 = 50067993   

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 12 (Homo sapiens (Human))	BDBM50067993 (CHEMBL3400797) Show SMILES [K+].CN(C)CCNC([S-])=S Show InChI InChI=1S/C5H12N2S2/c1-7(2)4-3-6-5(8)9/h3-4H2,1-2H3,(H2,6,8,9)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	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))	BDBM50067993 (CHEMBL3400797) Show SMILES [K+].CN(C)CCNC([S-])=S Show InChI InChI=1S/C5H12N2S2/c1-7(2)4-3-6-5(8)9/h3-4H2,1-2H3,(H2,6,8,9)/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	36	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 9 (Homo sapiens (Human))	BDBM50067993 (CHEMBL3400797) Show SMILES [K+].CN(C)CCNC([S-])=S Show InChI InChI=1S/C5H12N2S2/c1-7(2)4-3-6-5(8)9/h3-4H2,1-2H3,(H2,6,8,9)/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	38	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 1 (Homo sapiens (Human))	BDBM50067993 (CHEMBL3400797) Show SMILES [K+].CN(C)CCNC([S-])=S Show InChI InChI=1S/C5H12N2S2/c1-7(2)4-3-6-5(8)9/h3-4H2,1-2H3,(H2,6,8,9)/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	86	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