BDBM50155540 5-{4-[3-(2-Piperazin-1-yl-ethyl)-thioureido]-benzenesulfonylamino}-[1,3,4]thiadiazole-2-sulfonic acid amide::CHEMBL187372

SMILES: NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NCCN3CCNCC3)cc2)s1

InChI Key: InChIKey=HWADPEMDUDRDOV-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 = 50155540   

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))	BDBM50155540 (5-{4-[3-(2-Piperazin-1-yl-ethyl)-thioureido]-benze...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NCCN3CCNCC3)cc2)s1 Show InChI InChI=1S/C15H22N8O4S4/c16-30(24,25)15-21-20-14(29-15)22-31(26,27)12-3-1-11(2-4-12)19-13(28)18-7-10-23-8-5-17-6-9-23/h1-4,17H,5-10H2,(H,20,22)(H2,16,24,25)(H2,18,19,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	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 Binding affinity towards human cloned carbonic anhydrase II				Bioorg Med Chem Lett 14: 5775-80 (2004) Article DOI: 10.1016/j.bmcl.2004.09.062 BindingDB Entry DOI: 10.7270/Q2154HT4
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50155540 (5-{4-[3-(2-Piperazin-1-yl-ethyl)-thioureido]-benze...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NCCN3CCNCC3)cc2)s1 Show InChI InChI=1S/C15H22N8O4S4/c16-30(24,25)15-21-20-14(29-15)22-31(26,27)12-3-1-11(2-4-12)19-13(28)18-7-10-23-8-5-17-6-9-23/h1-4,17H,5-10H2,(H,20,22)(H2,16,24,25)(H2,18,19,28)	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	3	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 Binding affinity towards human cloned carbonic anhydrase IX				Bioorg Med Chem Lett 14: 5775-80 (2004) Article DOI: 10.1016/j.bmcl.2004.09.062 BindingDB Entry DOI: 10.7270/Q2154HT4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50155540 (5-{4-[3-(2-Piperazin-1-yl-ethyl)-thioureido]-benze...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NCCN3CCNCC3)cc2)s1 Show InChI InChI=1S/C15H22N8O4S4/c16-30(24,25)15-21-20-14(29-15)22-31(26,27)12-3-1-11(2-4-12)19-13(28)18-7-10-23-8-5-17-6-9-23/h1-4,17H,5-10H2,(H,20,22)(H2,16,24,25)(H2,18,19,28)	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	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 Binding affinity towards human cloned carbonic anhydrase I				Bioorg Med Chem Lett 14: 5775-80 (2004) Article DOI: 10.1016/j.bmcl.2004.09.062 BindingDB Entry DOI: 10.7270/Q2154HT4
					More data for this Ligand-Target Pair