BDBM50363814 CHEMBL1945685

SMILES: CC(=O)Nc1ccc2nc(ccc2c1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1

InChI Key: InChIKey=XWDSWDKREYDRLP-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 = 50363814   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50363814 (CHEMBL1945685) Show SMILES CC(=O)Nc1ccc2nc(ccc2c1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C28H37N5O3/c1-21(34)29-23-7-8-24-22(18-23)6-9-25(30-24)32-16-14-31(15-17-32)12-4-5-13-33-26(35)19-28(20-27(33)36)10-2-3-11-28/h6-9,18H,2-5,10-17,19-20H2,1H3,(H,29,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in cerebral cortex homogenates after 15 mins				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50363814 (CHEMBL1945685) Show SMILES CC(=O)Nc1ccc2nc(ccc2c1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C28H37N5O3/c1-21(34)29-23-7-8-24-22(18-23)6-9-25(30-24)32-16-14-31(15-17-32)12-4-5-13-33-26(35)19-28(20-27(33)36)10-2-3-11-28/h6-9,18H,2-5,10-17,19-20H2,1H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Medicines Institute Curated by ChEMBL					Assay Description Displacement of [3H]-Citalopram from SERT in rat cerebral cortex homogenates after 1 hr by liquid scintillation counter				Eur J Med Chem 49: 200-10 (2012) Article DOI: 10.1016/j.ejmech.2012.01.012 BindingDB Entry DOI: 10.7270/Q2K35V4Z
					More data for this Ligand-Target Pair