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BDBM50504446 CHEMBL4437024

SMILES: COc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCCC(C4)c4c[nH]c5ccc(OC)cc45)C3=O)c2c1

InChI Key: InChIKey=CLIHRGFJCAPYEM-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50504446   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50504446
PNG
(CHEMBL4437024)
Show SMILES COc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCCC(C4)c4c[nH]c5ccc(OC)cc45)C3=O)c2c1
Show InChI InChI=1S/C31H36N4O4/c1-38-21-7-9-28-23(14-21)26(17-32-28)20-6-5-12-34(19-20)11-3-4-13-35-30(36)16-25(31(35)37)27-18-33-29-10-8-22(39-2)15-24(27)29/h7-10,14-15,17-18,20,25,32-33H,3-6,11-13,16,19H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
 52n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111736
More data for this
Ligand-Target Pair