BindingDB logo
myBDB logout

null

SMILES: Cc1cc(Oc2nccc3N(Cc4ccccc4)CCCc23)ccc1-c1c(C)nn(C2CCCCO2)c(=O)c1C

InChI Key: InChIKey=PDPFKKDCWPHXIB-UHFFFAOYSA-N

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 1 hit for monomerid = 337377   
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))		BDBM337377
PNG
(4,6-Dimethyl-5-[2-methyl-4-(1,2,3,4-tetrahydro-1,6...)
Show SMILES Cc1cc(Oc2nccc3N(Cc4ccccc4)CCCc23)ccc1-c1c(C)nn(C2CCCCO2)c(=O)c1C |(9.76,22.28,;9.76,20.74,;8.43,19.97,;8.43,18.43,;7.1,17.66,;7.1,16.12,;8.43,15.35,;8.43,13.81,;7.1,13.04,;5.76,13.81,;4.43,13.04,;4.43,11.5,;5.76,10.73,;5.76,9.19,;7.1,8.42,;8.43,9.19,;8.43,10.73,;7.1,11.5,;3.09,13.81,;3.09,15.35,;4.43,16.12,;5.76,15.35,;9.76,17.66,;11.1,18.43,;11.1,19.97,;12.43,20.74,;13.76,19.97,;13.76,18.43,;15.1,20.74,;15.1,22.28,;16.43,23.05,;16.43,24.59,;17.77,25.36,;19.1,24.59,;19.1,23.05,;17.77,22.28,;13.76,23.05,;13.76,24.59,;12.43,22.28,;11.1,23.05,)|
Show InChI InChI=1S/C33H36N4O3/c1-22-20-26(14-15-27(22)31-23(2)33(38)37(35-24(31)3)30-13-7-8-19-39-30)40-32-28-12-9-18-36(29(28)16-17-34-32)21-25-10-5-4-6-11-25/h4-6,10-11,14-17,20,30H,7-9,12-13,18-19,21H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 18.1n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
D1 binding assays were performed using over-expressing LTK human cell lines. To determine basic assay parameters, ligand concentrations were determin...

US Patent US9745317 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CBQ
More data for this
Ligand-Target Pair