BDBM50165740 3-(5-Mercapto-[1,3,4]thiadiazol-2-yl)-1,1-diphenyl-urea::CHEMBL440031

SMILES: Sc1nnc(NC(=O)N(c2ccccc2)c2ccccc2)s1

InChI Key: InChIKey=GBZPQUMYSAGSPH-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 = 50165740   

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 1 (Homo sapiens (Human))	BDBM50165740 (3-(5-Mercapto-[1,3,4]thiadiazol-2-yl)-1,1-diphenyl...) Show SMILES Sc1nnc(NC(=O)N(c2ccccc2)c2ccccc2)s1 Show InChI InChI=1S/C15H12N4OS2/c20-14(16-13-17-18-15(21)22-13)19(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,18,21)(H,16,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bucharest Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase I				Bioorg Med Chem Lett 15: 2347-52 (2005) Article DOI: 10.1016/j.bmcl.2005.02.088 BindingDB Entry DOI: 10.7270/Q2348JW7
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50165740 (3-(5-Mercapto-[1,3,4]thiadiazol-2-yl)-1,1-diphenyl...) Show SMILES Sc1nnc(NC(=O)N(c2ccccc2)c2ccccc2)s1 Show InChI InChI=1S/C15H12N4OS2/c20-14(16-13-17-18-15(21)22-13)19(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,18,21)(H,16,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bucharest Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase II				Bioorg Med Chem Lett 15: 2347-52 (2005) Article DOI: 10.1016/j.bmcl.2005.02.088 BindingDB Entry DOI: 10.7270/Q2348JW7
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50165740 (3-(5-Mercapto-[1,3,4]thiadiazol-2-yl)-1,1-diphenyl...) Show SMILES Sc1nnc(NC(=O)N(c2ccccc2)c2ccccc2)s1 Show InChI InChI=1S/C15H12N4OS2/c20-14(16-13-17-18-15(21)22-13)19(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,18,21)(H,16,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.71E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bucharest Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2347-52 (2005) Article DOI: 10.1016/j.bmcl.2005.02.088 BindingDB Entry DOI: 10.7270/Q2348JW7
					More data for this Ligand-Target Pair