BDBM50490455 CHEMBL2326218

SMILES: COC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=PCJUHHKLQQXTMC-RZSHSNOLSA-N

Data: 1 KI  1 EC50

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 2 hits for monomerid = 50490455   

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))	BDBM50490455 (CHEMBL2326218) Show SMILES COC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C21H28N4O6S/c1-31-20(28)7-5-3-2-4-6-16-18(26)12-19(27)21(16)17-13-25(24-23-17)14-8-10-15(11-9-14)32(22,29)30/h2,4,8-11,13,16,18-19,21,26-27H,3,5-7,12H2,1H3,(H2,22,29,30)/b4-2-/t16-,18-,19+,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 by dansylamide (DNSA) competition assay				Bioorg Med Chem Lett 23: 939-43 (2013) Article DOI: 10.1016/j.bmcl.2012.12.058 BindingDB Entry DOI: 10.7270/Q2VM4G54
					More data for this Ligand-Target Pair
PTGFR (MOUSE)	BDBM50490455 (CHEMBL2326218) Show SMILES COC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C21H28N4O6S/c1-31-20(28)7-5-3-2-4-6-16-18(26)12-19(27)21(16)17-13-25(24-23-17)14-8-10-15(11-9-14)32(22,29)30/h2,4,8-11,13,16,18-19,21,26-27H,3,5-7,12H2,1H3,(H2,22,29,30)/b4-2-/t16-,18-,19+,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<5.01E+3	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at FP receptor in mouse 3T3 fibroblast cells assessed as intracellular calcium mobilization by FLIPR				Bioorg Med Chem Lett 23: 939-43 (2013) Article DOI: 10.1016/j.bmcl.2012.12.058 BindingDB Entry DOI: 10.7270/Q2VM4G54
					More data for this Ligand-Target Pair