BDBM50526030 CHEMBL4576769

SMILES: Fc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O

InChI Key: InChIKey=RFRBPYPTGBVNFI-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 = 50526030   

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))	BDBM50526030 (CHEMBL4576769) Show SMILES Fc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(9.7,-33.63,;8.37,-32.85,;8.37,-31.31,;7.04,-30.54,;5.7,-31.31,;5.7,-32.85,;7.03,-33.61,;7.02,-35.15,;5.69,-35.92,;4.36,-35.14,;3.03,-35.92,;3.03,-37.46,;4.36,-38.22,;5.69,-37.46,;7.01,-38.23,;7,-39.77,;8.35,-37.47,;9.68,-38.25,;11.01,-37.49,;12.34,-38.26,;13.68,-37.5,;15.01,-38.28,;16.34,-37.51,;17.67,-38.3,;17.65,-39.84,;16.31,-40.59,;14.99,-39.82,;16.3,-42.13,;15.05,-43.03,;15.51,-44.5,;17.04,-44.51,;18.06,-45.66,;19.57,-45.36,;20.06,-43.89,;19.04,-42.74,;17.54,-43.05,;8.35,-35.93,;9.69,-35.17,)| Show InChI InChI=1S/C31H31FN4O2/c32-26-13-3-1-12-24(26)29-28-15-5-6-18-35(28)31(38)36(30(29)37)19-8-7-16-34-17-9-10-22(21-34)25-20-33-27-14-4-2-11-23(25)27/h1-6,11-15,18,20,22,33H,7-10,16-17,19,21H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	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))	BDBM50526030 (CHEMBL4576769) Show SMILES Fc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(9.7,-33.63,;8.37,-32.85,;8.37,-31.31,;7.04,-30.54,;5.7,-31.31,;5.7,-32.85,;7.03,-33.61,;7.02,-35.15,;5.69,-35.92,;4.36,-35.14,;3.03,-35.92,;3.03,-37.46,;4.36,-38.22,;5.69,-37.46,;7.01,-38.23,;7,-39.77,;8.35,-37.47,;9.68,-38.25,;11.01,-37.49,;12.34,-38.26,;13.68,-37.5,;15.01,-38.28,;16.34,-37.51,;17.67,-38.3,;17.65,-39.84,;16.31,-40.59,;14.99,-39.82,;16.3,-42.13,;15.05,-43.03,;15.51,-44.5,;17.04,-44.51,;18.06,-45.66,;19.57,-45.36,;20.06,-43.89,;19.04,-42.74,;17.54,-43.05,;8.35,-35.93,;9.69,-35.17,)| Show InChI InChI=1S/C31H31FN4O2/c32-26-13-3-1-12-24(26)29-28-15-5-6-18-35(28)31(38)36(30(29)37)19-8-7-16-34-17-9-10-22(21-34)25-20-33-27-14-4-2-11-23(25)27/h1-6,11-15,18,20,22,33H,7-10,16-17,19,21H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	240	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