BDBM50256758 CHEMBL4059883

SMILES: COc1cc(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)S(N)(=O)=O)c(cc1OC)C(O)=O

InChI Key: InChIKey=KGNCSEZXCQLAAC-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 = 50256758   

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))	BDBM50256758 (CHEMBL4059883) Show SMILES COc1cc(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)S(N)(=O)=O)c(cc1OC)C(O)=O Show InChI InChI=1S/C24H19N3O9S/c1-35-19-10-17(24(31)32)18(11-20(19)36-2)26-21(28)12-3-8-15-16(9-12)23(30)27(22(15)29)13-4-6-14(7-5-13)37(25,33)34/h3-11H,1-2H3,(H,26,28)(H,31,32)(H2,25,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.20	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))	BDBM50256758 (CHEMBL4059883) Show SMILES COc1cc(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)S(N)(=O)=O)c(cc1OC)C(O)=O Show InChI InChI=1S/C24H19N3O9S/c1-35-19-10-17(24(31)32)18(11-20(19)36-2)26-21(28)12-3-8-15-16(9-12)23(30)27(22(15)29)13-4-6-14(7-5-13)37(25,33)34/h3-11H,1-2H3,(H,26,28)(H,31,32)(H2,25,33,34)	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	53	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