BDBM50504299 CHEMBL4539044

SMILES: NS(=O)(=O)c1ccc(C\N=C\c2ccc(OCC#C)cc2)cc1

InChI Key: InChIKey=LTCYQYLWFZWWFW-XDHOZWIPSA-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 = 50504299   

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))	BDBM50504299 (CHEMBL4539044) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2ccc(OCC#C)cc2)cc1 Show InChI InChI=1S/C17H16N2O3S/c1-2-11-22-16-7-3-14(4-8-16)12-19-13-15-5-9-17(10-6-15)23(18,20)21/h1,3-10,12H,11,13H2,(H2,18,20,21)/b19-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	231	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504299 (CHEMBL4539044) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2ccc(OCC#C)cc2)cc1 Show InChI InChI=1S/C17H16N2O3S/c1-2-11-22-16-7-3-14(4-8-16)12-19-13-15-5-9-17(10-6-15)23(18,20)21/h1,3-10,12H,11,13H2,(H2,18,20,21)/b19-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	888	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydra...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50504299 (CHEMBL4539044) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2ccc(OCC#C)cc2)cc1 Show InChI InChI=1S/C17H16N2O3S/c1-2-11-22-16-7-3-14(4-8-16)12-19-13-15-5-9-17(10-6-15)23(18,20)21/h1,3-10,12H,11,13H2,(H2,18,20,21)/b19-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504299 (CHEMBL4539044) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2ccc(OCC#C)cc2)cc1 Show InChI InChI=1S/C17H16N2O3S/c1-2-11-22-16-7-3-14(4-8-16)12-19-13-15-5-9-17(10-6-15)23(18,20)21/h1,3-10,12H,11,13H2,(H2,18,20,21)/b19-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702
					More data for this Ligand-Target Pair