BDBM50341403 CHEMBL4173265

SMILES: NS(=O)(=O)c1ccc(Nc2ncc3C(=O)CCCc3n2)cc1

InChI Key: InChIKey=LJWVCXMFRNTURZ-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 = 50341403   

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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50341403 (CHEMBL4173265) Show SMILES NS(=O)(=O)c1ccc(Nc2ncc3C(=O)CCCc3n2)cc1 Show InChI InChI=1S/C14H14N4O3S/c15-22(20,21)10-6-4-9(5-7-10)17-14-16-8-11-12(18-14)2-1-3-13(11)19/h4-8H,1-3H2,(H2,15,20,21)(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				J Med Chem 61: 5765-5770 (2018) Article DOI: 10.1021/acs.jmedchem.8b00670 BindingDB Entry DOI: 10.7270/Q2DB84F9
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50341403 (CHEMBL4173265) Show SMILES NS(=O)(=O)c1ccc(Nc2ncc3C(=O)CCCc3n2)cc1 Show InChI InChI=1S/C14H14N4O3S/c15-22(20,21)10-6-4-9(5-7-10)17-14-16-8-11-12(18-14)2-1-3-13(11)19/h4-8H,1-3H2,(H2,15,20,21)(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human CA2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				J Med Chem 61: 5765-5770 (2018) Article DOI: 10.1021/acs.jmedchem.8b00670 BindingDB Entry DOI: 10.7270/Q2DB84F9
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50341403 (CHEMBL4173265) Show SMILES NS(=O)(=O)c1ccc(Nc2ncc3C(=O)CCCc3n2)cc1 Show InChI InChI=1S/C14H14N4O3S/c15-22(20,21)10-6-4-9(5-7-10)17-14-16-8-11-12(18-14)2-1-3-13(11)19/h4-8H,1-3H2,(H2,15,20,21)(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human cytosolic CA1 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				J Med Chem 61: 5765-5770 (2018) Article DOI: 10.1021/acs.jmedchem.8b00670 BindingDB Entry DOI: 10.7270/Q2DB84F9
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50341403 (CHEMBL4173265) Show SMILES NS(=O)(=O)c1ccc(Nc2ncc3C(=O)CCCc3n2)cc1 Show InChI InChI=1S/C14H14N4O3S/c15-22(20,21)10-6-4-9(5-7-10)17-14-16-8-11-12(18-14)2-1-3-13(11)19/h4-8H,1-3H2,(H2,15,20,21)(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human CA4 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay				J Med Chem 61: 5765-5770 (2018) Article DOI: 10.1021/acs.jmedchem.8b00670 BindingDB Entry DOI: 10.7270/Q2DB84F9
					More data for this Ligand-Target Pair