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PubMed code 21280602

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50336701
PNG
((6aR,9R)-N-((2S)-1-((2S)-1-(3-(6-((S)-6-amino-6-ox...)
Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCCC(C1)C(=O)NCCCCCC(=O)NCCCC[C@H](NC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12)C(N)=O |r,c:4|
Show InChI InChI=1S/C62H79FN12O10S/c1-73-34-41(31-45-44-12-9-14-46-55(44)40(33-67-46)32-51(45)73)59(80)69-48(29-38-20-24-43(25-21-38)75(84)85)60(81)70-49(30-37-18-22-42(63)23-19-37)61(82)74-28-10-11-39(35-74)58(79)66-27-7-2-3-16-53(76)65-26-8-6-13-47(57(64)78)68-54(77)17-5-4-15-52-56-50(36-86-52)71-62(83)72-56/h9,12,14,18-25,31,33,39,41,47-52,56,67H,2-8,10-11,13,15-17,26-30,32,34-36H2,1H3,(H2,64,78)(H,65,76)(H,66,79)(H,68,77)(H,69,80)(H,70,81)(H2,71,72,83)/t39?,41-,47+,48+,49+,50-,51-,52-,56-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 93n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D3 receptor low binding affinity site expressed in CHO cells

J Med Chem 54: 1080-90 (2011)


Article DOI: 10.1021/jm101566d
BindingDB Entry DOI: 10.7270/Q2QF8T5T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50336701
PNG
((6aR,9R)-N-((2S)-1-((2S)-1-(3-(6-((S)-6-amino-6-ox...)
Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCCC(C1)C(=O)NCCCCCC(=O)NCCCC[C@H](NC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12)C(N)=O |r,c:4|
Show InChI InChI=1S/C62H79FN12O10S/c1-73-34-41(31-45-44-12-9-14-46-55(44)40(33-67-46)32-51(45)73)59(80)69-48(29-38-20-24-43(25-21-38)75(84)85)60(81)70-49(30-37-18-22-42(63)23-19-37)61(82)74-28-10-11-39(35-74)58(79)66-27-7-2-3-16-53(76)65-26-8-6-13-47(57(64)78)68-54(77)17-5-4-15-52-56-50(36-86-52)71-62(83)72-56/h9,12,14,18-25,31,33,39,41,47-52,56,67H,2-8,10-11,13,15-17,26-30,32,34-36H2,1H3,(H2,64,78)(H,65,76)(H,66,79)(H,68,77)(H,69,80)(H,70,81)(H2,71,72,83)/t39?,41-,47+,48+,49+,50-,51-,52-,56-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 23n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D3 receptor high binding affinity site expressed in CHO cells

J Med Chem 54: 1080-90 (2011)


Article DOI: 10.1021/jm101566d
BindingDB Entry DOI: 10.7270/Q2QF8T5T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%