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BDBM130463 US8822494, 10::US8822494, 9

SMILES: Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)n[nH]c(=O)c1C

InChI Key: InChIKey=MGVBAXYGKWRCMP-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 = 130463   
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))
BDBM130463
PNG
(US8822494, 10 | US8822494, 9)
Show SMILES Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)n[nH]c(=O)c1C |(-2.8,-.24,;-1.47,-1.01,;-.14,-.24,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;1.2,-2.55,;-.14,-3.32,;-1.47,-2.55,;-2.8,-3.32,;-2.8,-4.86,;-1.47,-5.63,;-4.14,-5.63,;-5.47,-4.86,;-5.47,-3.32,;-6.81,-2.55,;-4.14,-2.55,;-4.14,-1.01,)|
Show InChI InChI=1S/C20H18N4O2/c1-11-10-14(26-20-16-6-8-21-17(16)7-9-22-20)4-5-15(11)18-12(2)19(25)24-23-13(18)3/h4-10,21H,1-3H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
4.87n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


US Patent US8822494 (2014)


BindingDB Entry DOI: 10.7270/Q27S7MFN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM130463
PNG
(US8822494, 10 | US8822494, 9)
Show SMILES Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)n[nH]c(=O)c1C |(-2.8,-.24,;-1.47,-1.01,;-.14,-.24,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;1.2,-2.55,;-.14,-3.32,;-1.47,-2.55,;-2.8,-3.32,;-2.8,-4.86,;-1.47,-5.63,;-4.14,-5.63,;-5.47,-4.86,;-5.47,-3.32,;-6.81,-2.55,;-4.14,-2.55,;-4.14,-1.01,)|
Show InChI InChI=1S/C20H18N4O2/c1-11-10-14(26-20-16-6-8-21-17(16)7-9-22-20)4-5-15(11)18-12(2)19(25)24-23-13(18)3/h4-10,21H,1-3H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
5.04n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The affinity of the compounds described herein was determined by competition binding assays similar to those described in Ryman-Rasmussen et al., Dif...


US Patent US8822494 (2014)


BindingDB Entry DOI: 10.7270/Q27S7MFN
More data for this
Ligand-Target Pair