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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DOPAMINE' and Ligand = 'BDBM22872'   
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
DOPAMINE


(RAT)
BDBM22872
PNG
(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
2.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 in rat striatal homogenate


J Med Chem 45: 344-59 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3G26
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM22872
PNG
(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3
UniProtKB/SwissProt

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AffyNet 
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.20n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-SCH- 23390 to Dopamine receptor D1 in rat striatal membranes


J Med Chem 34: 2023-30 (1991)


BindingDB Entry DOI: 10.7270/Q2KD1WVC
More data for this
Ligand-Target Pair