BDBM50356611 CHEMBL1910143

SMILES: Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1

InChI Key: InChIKey=PYXAKJINLKPWGN-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 = 50356611   

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))	BDBM50356611 (CHEMBL1910143) Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 |(36.63,.07,;35.86,1.4,;34.32,1.4,;33.55,2.73,;34.32,4.06,;35.86,4.06,;36.63,2.73,;38.16,2.73,;38.93,1.4,;40.47,1.4,;41.24,2.73,;42.78,2.73,;43.54,4.06,;45.08,4.06,;45.85,2.73,;45.08,1.4,;47.39,2.73,;47.96,2.27,;47.96,.33,;47.39,.77,;49.32,.9,;49.31,2.86,;49.89,2.42,;49.89,.46,;51.42,.46,;52.19,-.87,;45.85,5.39,;45.08,6.73,;45.85,8.06,;47.39,8.06,;48.16,6.73,;47.39,5.39,;40.47,4.06,;38.93,4.06,)| Show InChI InChI=1S/C27H29FN4O2/c28-15-26-19-22-20(26)24-21(26)23(19)27(22,24)25(34)32(18-7-3-4-8-29-18)14-11-30-9-12-31(13-10-30)16-5-1-2-6-17(16)33/h1-8,19-24,33H,9-15H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting				Eur J Med Chem 46: 5728-35 (2011) Article DOI: 10.1016/j.ejmech.2011.06.023 BindingDB Entry DOI: 10.7270/Q2542P0K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50356611 (CHEMBL1910143) Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 |(36.63,.07,;35.86,1.4,;34.32,1.4,;33.55,2.73,;34.32,4.06,;35.86,4.06,;36.63,2.73,;38.16,2.73,;38.93,1.4,;40.47,1.4,;41.24,2.73,;42.78,2.73,;43.54,4.06,;45.08,4.06,;45.85,2.73,;45.08,1.4,;47.39,2.73,;47.96,2.27,;47.96,.33,;47.39,.77,;49.32,.9,;49.31,2.86,;49.89,2.42,;49.89,.46,;51.42,.46,;52.19,-.87,;45.85,5.39,;45.08,6.73,;45.85,8.06,;47.39,8.06,;48.16,6.73,;47.39,5.39,;40.47,4.06,;38.93,4.06,)| Show InChI InChI=1S/C27H29FN4O2/c28-15-26-19-22-20(26)24-21(26)23(19)27(22,24)25(34)32(18-7-3-4-8-29-18)14-11-30-9-12-31(13-10-30)16-5-1-2-6-17(16)33/h1-8,19-24,33H,9-15H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 EBNA cells after 2 hrs by liquid scintillation counting				Eur J Med Chem 46: 5728-35 (2011) Article DOI: 10.1016/j.ejmech.2011.06.023 BindingDB Entry DOI: 10.7270/Q2542P0K
					More data for this Ligand-Target Pair