BDBM50256757 CHEMBL4063781

SMILES: Cc1ccc(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)S(N)(=O)=O)c(c1)C(O)=O

InChI Key: InChIKey=XAKPWSLTJRSOIN-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 = 50256757   

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 (Homo sapiens (Human))	BDBM50256757 (CHEMBL4063781) Show SMILES Cc1ccc(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)S(N)(=O)=O)c(c1)C(O)=O Show InChI InChI=1S/C23H17N3O7S/c1-12-2-9-19(18(10-12)23(30)31)25-20(27)13-3-8-16-17(11-13)22(29)26(21(16)28)14-4-6-15(7-5-14)34(24,32)33/h2-11H,1H3,(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 Similars	Article PubMed	5.40	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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50256757 (CHEMBL4063781) Show SMILES Cc1ccc(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)S(N)(=O)=O)c(c1)C(O)=O Show InChI InChI=1S/C23H17N3O7S/c1-12-2-9-19(18(10-12)23(30)31)25-20(27)13-3-8-16-17(11-13)22(29)26(21(16)28)14-4-6-15(7-5-14)34(24,32)33/h2-11H,1H3,(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 Similars	Article PubMed	9.10	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