BDBM50492064 CHEMBL2391994

SMILES: CC(C)(C(O)=O)c1ccc(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1

InChI Key: InChIKey=QRKGBMWHGWWMNU-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50492064   

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
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM50492064 (CHEMBL2391994) Show SMILES CC(C)(C(O)=O)c1ccc(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1 Show InChI InChI=1S/C29H34N2O5/c1-29(2,28(33)34)22-10-8-20(9-11-22)18-30-15-12-21(13-16-30)19-36-27(32)25-23-6-3-4-7-24(23)31-14-5-17-35-26(25)31/h3-4,6-11,21H,5,12-19H2,1-2H3,(H,33,34)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Laboratory AS Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from human 5-HT4B receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting analysis				Eur J Med Chem 64: 629-37 (2013) Article DOI: 10.1016/j.ejmech.2013.03.060 BindingDB Entry DOI: 10.7270/Q27947NT
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50492064 (CHEMBL2391994) Show SMILES CC(C)(C(O)=O)c1ccc(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1 Show InChI InChI=1S/C29H34N2O5/c1-29(2,28(33)34)22-10-8-20(9-11-22)18-30-15-12-21(13-16-30)19-36-27(32)25-23-6-3-4-7-24(23)31-14-5-17-35-26(25)31/h3-4,6-11,21H,5,12-19H2,1-2H3,(H,33,34)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Laboratory AS Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells by whole-cell patch-clamp technique				Eur J Med Chem 64: 629-37 (2013) Article DOI: 10.1016/j.ejmech.2013.03.060 BindingDB Entry DOI: 10.7270/Q27947NT
					More data for this Ligand-Target Pair