BDBM50143601 CHEMBL3759307

SMILES: NS(=O)(=O)c1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1

InChI Key: InChIKey=XOGDITZCAXDMCQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50143601   

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 9 (Homo sapiens (Human))	BDBM50143601 (CHEMBL3759307) Show SMILES NS(=O)(=O)c1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C20H20N2O3S/c21-26(23,24)20-12-8-18(9-13-20)22-14-16-6-10-19(11-7-16)25-15-17-4-2-1-3-5-17/h1-13,22H,14-15H2,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harran University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 982-8 (2016) BindingDB Entry DOI: 10.7270/Q2KK9DNN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50143601 (CHEMBL3759307) Show SMILES NS(=O)(=O)c1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C20H20N2O3S/c21-26(23,24)20-12-8-18(9-13-20)22-14-16-6-10-19(11-7-16)25-15-17-4-2-1-3-5-17/h1-13,22H,14-15H2,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harran University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 982-8 (2016) BindingDB Entry DOI: 10.7270/Q2KK9DNN
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50143601 (CHEMBL3759307) Show SMILES NS(=O)(=O)c1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C20H20N2O3S/c21-26(23,24)20-12-8-18(9-13-20)22-14-16-6-10-19(11-7-16)25-15-17-4-2-1-3-5-17/h1-13,22H,14-15H2,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harran University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 982-8 (2016) BindingDB Entry DOI: 10.7270/Q2KK9DNN
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50143601 (CHEMBL3759307) Show SMILES NS(=O)(=O)c1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1 Show InChI InChI=1S/C20H20N2O3S/c21-26(23,24)20-12-8-18(9-13-20)22-14-16-6-10-19(11-7-16)25-15-17-4-2-1-3-5-17/h1-13,22H,14-15H2,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	404	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harran University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 982-8 (2016) BindingDB Entry DOI: 10.7270/Q2KK9DNN
					More data for this Ligand-Target Pair