BDBM50231891 2-(1-hydroxypentyl)-6-methyl-3-phenethyl-1H-indole-5-carboxylic acid::CHEMBL403296

SMILES: CCCCC(O)c1[nH]c2cc(C)c(cc2c1CCc1ccccc1)C(O)=O

InChI Key: InChIKey=CTHUKURTASAUTM-UHFFFAOYSA-N

Data: 2 IC50

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 = 50231891   

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
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50231891 (2-(1-hydroxypentyl)-6-methyl-3-phenethyl-1H-indole...) Show SMILES CCCCC(O)c1[nH]c2cc(C)c(cc2c1CCc1ccccc1)C(O)=O |w:4.4| Show InChI InChI=1S/C23H27NO3/c1-3-4-10-21(25)22-17(12-11-16-8-6-5-7-9-16)19-14-18(23(26)27)15(2)13-20(19)24-22/h5-9,13-14,21,24-25H,3-4,10-12H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to GST tagged human CFTR PDZ2 domain				Bioorg Med Chem Lett 18: 942-5 (2008) Article DOI: 10.1016/j.bmcl.2007.12.038 BindingDB Entry DOI: 10.7270/Q2DJ5FC2
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50231891 (2-(1-hydroxypentyl)-6-methyl-3-phenethyl-1H-indole...) Show SMILES CCCCC(O)c1[nH]c2cc(C)c(cc2c1CCc1ccccc1)C(O)=O |w:4.4| Show InChI InChI=1S/C23H27NO3/c1-3-4-10-21(25)22-17(12-11-16-8-6-5-7-9-16)19-14-18(23(26)27)15(2)13-20(19)24-22/h5-9,13-14,21,24-25H,3-4,10-12H2,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.54E+6	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to GST tagged human beta 2 adrenergic receptor PDZ1 domain				Bioorg Med Chem Lett 18: 942-5 (2008) Article DOI: 10.1016/j.bmcl.2007.12.038 BindingDB Entry DOI: 10.7270/Q2DJ5FC2
					More data for this Ligand-Target Pair