BDBM50256789 CHEMBL4082361

SMILES: NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccc(I)cc1C(O)=O

InChI Key: InChIKey=LGXCTTWFMQFHCD-UHFFFAOYSA-N

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 = 50256789   

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))	BDBM50256789 (CHEMBL4082361) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccc(I)cc1C(O)=O Show InChI InChI=1S/C22H14IN3O7S/c23-12-2-8-18(17(10-12)22(30)31)25-19(27)11-1-7-15-16(9-11)21(29)26(20(15)28)13-3-5-14(6-4-13)34(24,32)33/h1-10H,(H,25,27)(H,30,31)(H2,24,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University, Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 25: 2524-2529 (2017) Article DOI: 10.1016/j.bmc.2017.03.017 BindingDB Entry DOI: 10.7270/Q2TX3HTG
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50256789 (CHEMBL4082361) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccc(I)cc1C(O)=O Show InChI InChI=1S/C22H14IN3O7S/c23-12-2-8-18(17(10-12)22(30)31)25-19(27)11-1-7-15-16(9-11)21(29)26(20(15)28)13-3-5-14(6-4-13)34(24,32)33/h1-10H,(H,25,27)(H,30,31)(H2,24,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University, Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 25: 2524-2529 (2017) Article DOI: 10.1016/j.bmc.2017.03.017 BindingDB Entry DOI: 10.7270/Q2TX3HTG
					More data for this Ligand-Target Pair