BDBM50248512 CHEMBL4067403

SMILES: CC(C)C[C@@H](C[Se]c1ccccc1)NS(=O)(=O)c1ccc(C)cc1

InChI Key: InChIKey=LOYIXSPTTWITNQ-KRWDZBQOSA-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 = 50248512   

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))	BDBM50248512 (CHEMBL4067403) Show SMILES CC(C)C[C@@H](C[Se]c1ccccc1)NS(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C19H25NO2SSe/c1-15(2)13-17(14-24-19-7-5-4-6-8-19)20-23(21,22)18-11-9-16(3)10-12-18/h4-12,15,17,20H,13-14H2,1-3H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human cytosolic carbonic anhydrase 2 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red base...				Bioorg Med Chem 25: 2518-2523 (2017) Article DOI: 10.1016/j.bmc.2017.03.013 BindingDB Entry DOI: 10.7270/Q25B04XC
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50248512 (CHEMBL4067403) Show SMILES CC(C)C[C@@H](C[Se]c1ccccc1)NS(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C19H25NO2SSe/c1-15(2)13-17(14-24-19-7-5-4-6-8-19)20-23(21,22)18-11-9-16(3)10-12-18/h4-12,15,17,20H,13-14H2,1-3H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human cytosolic carbonic anhydrase 7 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red base...				Bioorg Med Chem 25: 2518-2523 (2017) Article DOI: 10.1016/j.bmc.2017.03.013 BindingDB Entry DOI: 10.7270/Q25B04XC
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50248512 (CHEMBL4067403) Show SMILES CC(C)C[C@@H](C[Se]c1ccccc1)NS(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C19H25NO2SSe/c1-15(2)13-17(14-24-19-7-5-4-6-8-19)20-23(21,22)18-11-9-16(3)10-12-18/h4-12,15,17,20H,13-14H2,1-3H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.73E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human cytosolic carbonic anhydrase 1 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red base...				Bioorg Med Chem 25: 2518-2523 (2017) Article DOI: 10.1016/j.bmc.2017.03.013 BindingDB Entry DOI: 10.7270/Q25B04XC
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50248512 (CHEMBL4067403) Show SMILES CC(C)C[C@@H](C[Se]c1ccccc1)NS(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C19H25NO2SSe/c1-15(2)13-17(14-24-19-7-5-4-6-8-19)20-23(21,22)18-11-9-16(3)10-12-18/h4-12,15,17,20H,13-14H2,1-3H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human membrane bound carbonic anhydrase 4 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red...				Bioorg Med Chem 25: 2518-2523 (2017) Article DOI: 10.1016/j.bmc.2017.03.013 BindingDB Entry DOI: 10.7270/Q25B04XC
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50248512 (CHEMBL4067403) Show SMILES CC(C)C[C@@H](C[Se]c1ccccc1)NS(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C19H25NO2SSe/c1-15(2)13-17(14-24-19-7-5-4-6-8-19)20-23(21,22)18-11-9-16(3)10-12-18/h4-12,15,17,20H,13-14H2,1-3H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human transmembrane carbonic anhydrase 9 pretreated for 15 mins prior to testing measured for 10 to 100 secs by phenol red ...				Bioorg Med Chem 25: 2518-2523 (2017) Article DOI: 10.1016/j.bmc.2017.03.013 BindingDB Entry DOI: 10.7270/Q25B04XC
					More data for this Ligand-Target Pair