BDBM50526009 CHEMBL4563197

SMILES: COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5Cl)c5ccccn5c4=O)C3)c2c1

InChI Key: InChIKey=GRTMBFNEAOAQJS-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 = 50526009   

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))	BDBM50526009 (CHEMBL4563197) Show SMILES COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5Cl)c5ccccn5c4=O)C3)c2c1 |(22.43,-29.85,;21.41,-28.7,;19.9,-29.01,;19.41,-30.47,;17.9,-30.77,;16.89,-29.62,;15.35,-29.61,;14.89,-28.14,;16.15,-27.25,;16.16,-25.71,;17.5,-24.95,;17.51,-23.41,;16.18,-22.62,;14.86,-23.39,;13.53,-22.61,;12.19,-23.38,;10.86,-22.6,;9.52,-23.36,;8.19,-22.58,;8.2,-21.04,;9.54,-20.28,;6.87,-20.26,;6.87,-18.73,;5.54,-17.96,;5.54,-16.42,;6.88,-15.65,;8.22,-16.42,;8.21,-17.96,;9.54,-18.74,;5.54,-21.03,;4.21,-20.25,;2.88,-21.03,;2.88,-22.57,;4.21,-23.33,;5.53,-22.57,;6.85,-23.34,;6.84,-24.88,;14.84,-24.93,;17.38,-28.16,;18.88,-27.86,)| Show InChI InChI=1S/C32H33ClN4O3/c1-40-23-13-14-28-25(19-23)26(20-34-28)22-9-8-16-35(21-22)15-6-7-18-37-31(38)30(24-10-2-3-11-27(24)33)29-12-4-5-17-36(29)32(37)39/h2-5,10-14,17,19-20,22,34H,6-9,15-16,18,21H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	176	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))	BDBM50526009 (CHEMBL4563197) Show SMILES COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5Cl)c5ccccn5c4=O)C3)c2c1 |(22.43,-29.85,;21.41,-28.7,;19.9,-29.01,;19.41,-30.47,;17.9,-30.77,;16.89,-29.62,;15.35,-29.61,;14.89,-28.14,;16.15,-27.25,;16.16,-25.71,;17.5,-24.95,;17.51,-23.41,;16.18,-22.62,;14.86,-23.39,;13.53,-22.61,;12.19,-23.38,;10.86,-22.6,;9.52,-23.36,;8.19,-22.58,;8.2,-21.04,;9.54,-20.28,;6.87,-20.26,;6.87,-18.73,;5.54,-17.96,;5.54,-16.42,;6.88,-15.65,;8.22,-16.42,;8.21,-17.96,;9.54,-18.74,;5.54,-21.03,;4.21,-20.25,;2.88,-21.03,;2.88,-22.57,;4.21,-23.33,;5.53,-22.57,;6.85,-23.34,;6.84,-24.88,;14.84,-24.93,;17.38,-28.16,;18.88,-27.86,)| Show InChI InChI=1S/C32H33ClN4O3/c1-40-23-13-14-28-25(19-23)26(20-34-28)22-9-8-16-35(21-22)15-6-7-18-37-31(38)30(24-10-2-3-11-27(24)33)29-12-4-5-17-36(29)32(37)39/h2-5,10-14,17,19-20,22,34H,6-9,15-16,18,21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	459	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