BDBM50538706 CHEMBL4649709

SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccc(F)c1

InChI Key: InChIKey=YBCUNRWDUZQOAB-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50538706   

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))	BDBM50538706 (CHEMBL4649709) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccc(F)c1 Show InChI InChI=1S/C18H18FN3O4S/c19-15-3-1-2-14(12-15)18(24)22-10-8-21(9-11-22)17(23)13-4-6-16(7-5-13)27(20,25)26/h1-7,12H,8-11H2,(H2,20,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human CA2 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay				ACS Med Chem Lett 11: 1000-1005 (2020)
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50538706 (CHEMBL4649709) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccc(F)c1 Show InChI InChI=1S/C18H18FN3O4S/c19-15-3-1-2-14(12-15)18(24)22-10-8-21(9-11-22)17(23)13-4-6-16(7-5-13)27(20,25)26/h1-7,12H,8-11H2,(H2,20,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human CA1 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay				ACS Med Chem Lett 11: 1000-1005 (2020)
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50538706 (CHEMBL4649709) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccc(F)c1 Show InChI InChI=1S/C18H18FN3O4S/c19-15-3-1-2-14(12-15)18(24)22-10-8-21(9-11-22)17(23)13-4-6-16(7-5-13)27(20,25)26/h1-7,12H,8-11H2,(H2,20,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human CA9 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay				ACS Med Chem Lett 11: 1000-1005 (2020)
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50538706 (CHEMBL4649709) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccc(F)c1 Show InChI InChI=1S/C18H18FN3O4S/c19-15-3-1-2-14(12-15)18(24)22-10-8-21(9-11-22)17(23)13-4-6-16(7-5-13)27(20,25)26/h1-7,12H,8-11H2,(H2,20,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human CA12 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay				ACS Med Chem Lett 11: 1000-1005 (2020)
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50538706 (CHEMBL4649709) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccc(F)c1 Show InChI InChI=1S/C18H18FN3O4S/c19-15-3-1-2-14(12-15)18(24)22-10-8-21(9-11-22)17(23)13-4-6-16(7-5-13)27(20,25)26/h1-7,12H,8-11H2,(H2,20,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human CA14 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay				ACS Med Chem Lett 11: 1000-1005 (2020)
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50538706 (CHEMBL4649709) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccc(F)c1 Show InChI InChI=1S/C18H18FN3O4S/c19-15-3-1-2-14(12-15)18(24)22-10-8-21(9-11-22)17(23)13-4-6-16(7-5-13)27(20,25)26/h1-7,12H,8-11H2,(H2,20,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human CA7 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay				ACS Med Chem Lett 11: 1000-1005 (2020)
					More data for this Ligand-Target Pair