BDBM50526016 CHEMBL4518119

SMILES: COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(C)cc5)c5ccccn5c4=O)C3)c2c1

InChI Key: InChIKey=LNLNARFMSLDYSV-UHFFFAOYSA-N

Data: 2 KI

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 = 50526016   

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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50526016 (CHEMBL4518119) Show SMILES COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(C)cc5)c5ccccn5c4=O)C3)c2c1 Show InChI InChI=1S/C33H36N4O3/c1-23-10-12-24(13-11-23)31-30-9-3-4-18-36(30)33(39)37(32(31)38)19-6-5-16-35-17-7-8-25(22-35)28-21-34-29-15-14-26(40-2)20-27(28)29/h3-4,9-15,18,20-21,25,34H,5-8,16-17,19,22H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	173	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-citalopram from SERT in rat cortex tissue measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50526016 (CHEMBL4518119) Show SMILES COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(C)cc5)c5ccccn5c4=O)C3)c2c1 Show InChI InChI=1S/C33H36N4O3/c1-23-10-12-24(13-11-23)31-30-9-3-4-18-36(30)33(39)37(32(31)38)19-6-5-16-35-17-7-8-25(22-35)28-21-34-29-15-14-26(40-2)20-27(28)29/h3-4,9-15,18,20-21,25,34H,5-8,16-17,19,22H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	333	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from recombinant human 5HT1A receptor expressed in CHO cell membranes measured after 60 mins by microbeta scintillatio...				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031
					More data for this Ligand-Target Pair