BDBM50088761 CHEMBL14198::N,N-dialkylthio-carbonylsulfenylamino derivative

SMILES: CCN(C)C(=S)SNCCc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=ZYPUOIATTIOHKL-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50088761   

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))	BDBM50088761 (CHEMBL14198 | N,N-dialkylthio-carbonylsulfenylamin...) Show SMILES CCN(C)C(=S)SNCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C12H19N3O2S3/c1-3-15(2)12(18)19-14-9-8-10-4-6-11(7-5-10)20(13,16)17/h4-7,14H,3,8-9H2,1-2H3,(H2,13,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 10: 1117-20 (2000) BindingDB Entry DOI: 10.7270/Q2WW7J6M
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50088761 (CHEMBL14198 | N,N-dialkylthio-carbonylsulfenylamin...) Show SMILES CCN(C)C(=S)SNCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C12H19N3O2S3/c1-3-15(2)12(18)19-14-9-8-10-4-6-11(7-5-10)20(13,16)17/h4-7,14H,3,8-9H2,1-2H3,(H2,13,16,17)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibition of bovine carbonic anhydrase IV from bovine lung microsomes				Bioorg Med Chem Lett 10: 1117-20 (2000) BindingDB Entry DOI: 10.7270/Q2WW7J6M
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50088761 (CHEMBL14198 | N,N-dialkylthio-carbonylsulfenylamin...) Show SMILES CCN(C)C(=S)SNCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C12H19N3O2S3/c1-3-15(2)12(18)19-14-9-8-10-4-6-11(7-5-10)20(13,16)17/h4-7,14H,3,8-9H2,1-2H3,(H2,13,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase I (CAI)				Bioorg Med Chem Lett 10: 1117-20 (2000) BindingDB Entry DOI: 10.7270/Q2WW7J6M
					More data for this Ligand-Target Pair