BDBM50490462 CHEMBL2325976

SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)N(CC)[C@H]1CN(CCCOC)S(=O)(=O)C2SC(=CC12)S(N)(=O)=O

InChI Key: InChIKey=PSMYZBYTIIQVMC-LNEVYKPISA-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 = 50490462   

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))	BDBM50490462 (CHEMBL2325976) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)N(CC)[C@H]1CN(CCCOC)S(=O)(=O)C2SC(=CC12)S(N)(=O)=O |r,c:41| Show InChI InChI=1S/C32H55N3O9S3/c1-4-6-9-13-23(36)16-17-25-24(28(37)21-29(25)38)14-10-7-8-11-15-30(39)35(5-2)27-22-34(18-12-19-44-3)47(42,43)32-26(27)20-31(45-32)46(33,40)41/h7,10,16-17,20,23-29,32,36-38H,4-6,8-9,11-15,18-19,21-22H2,1-3H3,(H2,33,40,41)/b10-7-,17-16+/t23-,24+,25+,26?,27-,28-,29+,32?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	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
Prostaglandin F2-alpha receptor (MOUSE)	BDBM50490462 (CHEMBL2325976) Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)N(CC)[C@H]1CN(CCCOC)S(=O)(=O)C2SC(=CC12)S(N)(=O)=O |r,c:41| Show InChI InChI=1S/C32H55N3O9S3/c1-4-6-9-13-23(36)16-17-25-24(28(37)21-29(25)38)14-10-7-8-11-15-30(39)35(5-2)27-22-34(18-12-19-44-3)47(42,43)32-26(27)20-31(45-32)46(33,40)41/h7,10,16-17,20,23-29,32,36-38H,4-6,8-9,11-15,18-19,21-22H2,1-3H3,(H2,33,40,41)/b10-7-,17-16+/t23-,24+,25+,26?,27-,28-,29+,32?/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