BDBM50490454 CHEMBL2325981

SMILES: CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(=O)Nc1nnc(s1)S(N)(=O)=O

InChI Key: InChIKey=HLKKJESNHSMZGG-MVSJOMPVSA-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 = 50490454   

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))	BDBM50490454 (CHEMBL2325981) Show SMILES CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(=O)Nc1nnc(s1)S(N)(=O)=O |r| Show InChI InChI=1S/C20H30N4O7S2/c1-12(2)31-18(28)8-6-4-3-5-7-13-14(16(26)11-15(13)25)9-10-17(27)22-19-23-24-20(32-19)33(21,29)30/h3,5,9-10,12-16,25-26H,4,6-8,11H2,1-2H3,(H2,21,29,30)(H,22,23,27)/b5-3-,10-9+/t13-,14-,15+,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	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)	BDBM50490454 (CHEMBL2325981) Show SMILES CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(=O)Nc1nnc(s1)S(N)(=O)=O |r| Show InChI InChI=1S/C20H30N4O7S2/c1-12(2)31-18(28)8-6-4-3-5-7-13-14(16(26)11-15(13)25)9-10-17(27)22-19-23-24-20(32-19)33(21,29)30/h3,5,9-10,12-16,25-26H,4,6-8,11H2,1-2H3,(H2,21,29,30)(H,22,23,27)/b5-3-,10-9+/t13-,14-,15+,16-/m1/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