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BDBM50104138 9H-Fluorene-3-carboxylic acid {4-[4-(2,3-dichloro-phenyl)-piperazin-1-yl]-butyl}-amide::CHEMBL110411

SMILES: Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4Cc5ccccc5-c4c3)CC2)c1Cl

InChI Key: InChIKey=VCYJYQQXTOICSB-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50104138   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50104138
PNG
(9H-Fluorene-3-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4Cc5ccccc5-c4c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)22-11-10-21-18-20-6-1-2-7-23(20)24(21)19-22/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
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PC cid
PC sid
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Similars

PubMed
1.40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at dopamine receptor D3


J Med Chem 44: 3175-86 (2001)


BindingDB Entry DOI: 10.7270/Q2WD419S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50104138
PNG
(9H-Fluorene-3-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4Cc5ccccc5-c4c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)22-11-10-21-18-20-6-1-2-7-23(20)24(21)19-22/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
PDB

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PubMed
217n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at human dopamine receptor D2


J Med Chem 44: 3175-86 (2001)


BindingDB Entry DOI: 10.7270/Q2WD419S
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50104138
PNG
(9H-Fluorene-3-carboxylic acid {4-[4-(2,3-dichloro-...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4Cc5ccccc5-c4c3)CC2)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)22-11-10-21-18-20-6-1-2-7-23(20)24(21)19-22/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
Reactome pathway
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antibodypedia
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UniChem

Similars

PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at human dopamine receptor D4


J Med Chem 44: 3175-86 (2001)


BindingDB Entry DOI: 10.7270/Q2WD419S
More data for this
Ligand-Target Pair