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BDBM50535456 CHEMBL4475914

SMILES: Cc1cc(Oc2ncnc3sc4CCCCc4c23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C

InChI Key: InChIKey=XREQRGWNIQAVNX-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50535456   
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
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50535456
PNG
(CHEMBL4475914)
Show SMILES Cc1cc(Oc2ncnc3sc4CCCCc4c23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C |(13.88,-37.95,;13.89,-39.49,;12.56,-40.26,;12.55,-41.81,;11.22,-42.58,;11.22,-44.12,;12.55,-44.88,;12.55,-46.42,;11.21,-47.2,;9.88,-46.43,;8.42,-46.91,;7.5,-45.66,;5.98,-45.51,;5.36,-44.11,;6.25,-42.87,;7.78,-43.03,;8.4,-44.42,;9.87,-44.89,;13.89,-42.58,;15.23,-41.81,;15.22,-40.25,;16.55,-39.48,;16.54,-37.94,;15.2,-37.17,;17.88,-37.17,;17.88,-35.63,;19.22,-37.94,;19.22,-39.48,;20.55,-40.25,;17.89,-40.25,;17.89,-41.79,)|
Show InChI InChI=1S/C23H22N4O3S/c1-12-10-14(8-9-15(12)19-13(2)20(28)26-23(29)27(19)3)30-21-18-16-6-4-5-7-17(16)31-22(18)25-11-24-21/h8-11H,4-7H2,1-3H3,(H,26,28,29)
PDB

KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor ...

ACS Med Chem Lett 10: 792-799 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00050
More data for this
Ligand-Target Pair