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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor' and Ligand = 'BDBM50005120'   
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 D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50005120
PNG
(CHEMBL274491 | N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C
Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m0/s1
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PubMed
0.0200n/an/an/an/an/an/an/an/a



Washington University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 495-502 (1994)


BindingDB Entry DOI: 10.7270/Q2S75DWP
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50005120
PNG
(CHEMBL274491 | N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C
Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Washington University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 495-502 (1994)


BindingDB Entry DOI: 10.7270/Q2S75DWP
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50005120
PNG
(CHEMBL274491 | N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C
Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m0/s1
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Article
PubMed
0.120n/an/an/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards DA D-2 receptor using radioligand [3H]SPI


J Med Chem 35: 2355-63 (1992)


Article DOI: 10.1021/jm00091a002
BindingDB Entry DOI: 10.7270/Q2R2120B
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50005120
PNG
(CHEMBL274491 | N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C
Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m0/s1
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Article
PubMed
23n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Synapse 25: 137-46 (1997)


Article DOI: 10.1002/(SICI)1098-2396(199702)25:2
BindingDB Entry DOI: 10.7270/Q2WH2NH6
More data for this
Ligand-Target Pair