BDBM50386729 CHEMBL2048932

SMILES: NS(=O)(=O)c1ccc(cc1)C1NCCc2cc(O)ccc12

InChI Key: InChIKey=UCPBPGUNLAWUOV-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50386729   

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))	BDBM50386729 (CHEMBL2048932) Show SMILES NS(=O)(=O)c1ccc(cc1)C1NCCc2cc(O)ccc12 Show InChI InChI=1S/C15H16N2O3S/c16-21(19,20)13-4-1-10(2-5-13)15-14-6-3-12(18)9-11(14)7-8-17-15/h1-6,9,15,17-18H,7-8H2,(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length CA1-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				J Med Chem 55: 3891-9 (2012) Article DOI: 10.1021/jm300112w BindingDB Entry DOI: 10.7270/Q20G3M6Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50386729 (CHEMBL2048932) Show SMILES NS(=O)(=O)c1ccc(cc1)C1NCCc2cc(O)ccc12 Show InChI InChI=1S/C15H16N2O3S/c16-21(19,20)13-4-1-10(2-5-13)15-14-6-3-12(18)9-11(14)7-8-17-15/h1-6,9,15,17-18H,7-8H2,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length CA7-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				J Med Chem 55: 3891-9 (2012) Article DOI: 10.1021/jm300112w BindingDB Entry DOI: 10.7270/Q20G3M6Q
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM50386729 (CHEMBL2048932) Show SMILES NS(=O)(=O)c1ccc(cc1)C1NCCc2cc(O)ccc12 Show InChI InChI=1S/C15H16N2O3S/c16-21(19,20)13-4-1-10(2-5-13)15-14-6-3-12(18)9-11(14)7-8-17-15/h1-6,9,15,17-18H,7-8H2,(H2,16,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length CA14-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				J Med Chem 55: 3891-9 (2012) Article DOI: 10.1021/jm300112w BindingDB Entry DOI: 10.7270/Q20G3M6Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50386729 (CHEMBL2048932) Show SMILES NS(=O)(=O)c1ccc(cc1)C1NCCc2cc(O)ccc12 Show InChI InChI=1S/C15H16N2O3S/c16-21(19,20)13-4-1-10(2-5-13)15-14-6-3-12(18)9-11(14)7-8-17-15/h1-6,9,15,17-18H,7-8H2,(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 catalytic domain-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				J Med Chem 55: 3891-9 (2012) Article DOI: 10.1021/jm300112w BindingDB Entry DOI: 10.7270/Q20G3M6Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50386729 (CHEMBL2048932) Show SMILES NS(=O)(=O)c1ccc(cc1)C1NCCc2cc(O)ccc12 Show InChI InChI=1S/C15H16N2O3S/c16-21(19,20)13-4-1-10(2-5-13)15-14-6-3-12(18)9-11(14)7-8-17-15/h1-6,9,15,17-18H,7-8H2,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	84.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length CA2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				J Med Chem 55: 3891-9 (2012) Article DOI: 10.1021/jm300112w BindingDB Entry DOI: 10.7270/Q20G3M6Q
					More data for this Ligand-Target Pair