BDBM50526028 CHEMBL4473888

SMILES: COc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O

InChI Key: InChIKey=JNZLFUGVQULFHJ-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 = 50526028   

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))	BDBM50526028 (CHEMBL4473888) Show SMILES COc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(36.19,-18.42,;34.85,-19.19,;33.52,-18.41,;33.53,-16.88,;32.19,-16.1,;30.85,-16.88,;30.85,-18.41,;32.18,-19.18,;32.18,-20.71,;30.85,-21.48,;29.52,-20.71,;28.19,-21.48,;28.19,-23.02,;29.52,-23.79,;30.84,-23.02,;32.16,-23.8,;32.15,-25.34,;33.5,-23.03,;34.83,-23.81,;36.17,-23.05,;37.5,-23.83,;38.84,-23.06,;40.17,-23.84,;41.49,-23.08,;42.82,-23.86,;42.81,-25.4,;41.47,-26.16,;40.15,-25.38,;41.46,-27.7,;40.2,-28.59,;40.66,-30.06,;42.2,-30.07,;43.22,-31.23,;44.73,-30.92,;45.21,-29.46,;44.19,-28.31,;42.69,-28.61,;33.51,-21.49,;34.85,-20.73,)| Show InChI InChI=1S/C32H34N4O3/c1-39-29-16-5-3-13-25(29)30-28-15-6-7-19-35(28)32(38)36(31(30)37)20-9-8-17-34-18-10-11-23(22-34)26-21-33-27-14-4-2-12-24(26)27/h2-7,12-16,19,21,23,33H,8-11,17-18,20,22H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	132	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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50526028 (CHEMBL4473888) Show SMILES COc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(36.19,-18.42,;34.85,-19.19,;33.52,-18.41,;33.53,-16.88,;32.19,-16.1,;30.85,-16.88,;30.85,-18.41,;32.18,-19.18,;32.18,-20.71,;30.85,-21.48,;29.52,-20.71,;28.19,-21.48,;28.19,-23.02,;29.52,-23.79,;30.84,-23.02,;32.16,-23.8,;32.15,-25.34,;33.5,-23.03,;34.83,-23.81,;36.17,-23.05,;37.5,-23.83,;38.84,-23.06,;40.17,-23.84,;41.49,-23.08,;42.82,-23.86,;42.81,-25.4,;41.47,-26.16,;40.15,-25.38,;41.46,-27.7,;40.2,-28.59,;40.66,-30.06,;42.2,-30.07,;43.22,-31.23,;44.73,-30.92,;45.21,-29.46,;44.19,-28.31,;42.69,-28.61,;33.51,-21.49,;34.85,-20.73,)| Show InChI InChI=1S/C32H34N4O3/c1-39-29-16-5-3-13-25(29)30-28-15-6-7-19-35(28)32(38)36(31(30)37)20-9-8-17-34-18-10-11-23(22-34)26-21-33-27-14-4-2-12-24(26)27/h2-7,12-16,19,21,23,33H,8-11,17-18,20,22H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	411	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