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BDBM86280 MCL-216

SMILES: Cc1ccccc1C1CNCCc2c(Br)c(O)c(O)cc12

InChI Key: InChIKey=ASXMASABHPVLSJ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 86280   
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
DOPAMINE


(RAT)
BDBM86280
PNG
(MCL-216)
Show SMILES Cc1ccccc1C1CNCCc2c(Br)c(O)c(O)cc12
Show InChI InChI=1S/C17H18BrNO2/c1-10-4-2-3-5-11(10)14-9-19-7-6-12-13(14)8-15(20)17(21)16(12)18/h2-5,8,14,19-21H,6-7,9H2,1H3
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Article
PubMed
1.81n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


Article DOI: 10.1016/s0014-2999(03)02008-9
BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM86280
PNG
(MCL-216)
Show SMILES Cc1ccccc1C1CNCCc2c(Br)c(O)c(O)cc12
Show InChI InChI=1S/C17H18BrNO2/c1-10-4-2-3-5-11(10)14-9-19-7-6-12-13(14)8-15(20)17(21)16(12)18/h2-5,8,14,19-21H,6-7,9H2,1H3
UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
1.95n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


Article DOI: 10.1016/s0014-2999(03)02008-9
BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM86280
PNG
(MCL-216)
Show SMILES Cc1ccccc1C1CNCCc2c(Br)c(O)c(O)cc12
Show InChI InChI=1S/C17H18BrNO2/c1-10-4-2-3-5-11(10)14-9-19-7-6-12-13(14)8-15(20)17(21)16(12)18/h2-5,8,14,19-21H,6-7,9H2,1H3
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Article
PubMed
19.5n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


Article DOI: 10.1016/s0014-2999(03)02008-9
BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM86280
PNG
(MCL-216)
Show SMILES Cc1ccccc1C1CNCCc2c(Br)c(O)c(O)cc12
Show InChI InChI=1S/C17H18BrNO2/c1-10-4-2-3-5-11(10)14-9-19-7-6-12-13(14)8-15(20)17(21)16(12)18/h2-5,8,14,19-21H,6-7,9H2,1H3
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
20.4n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


Article DOI: 10.1016/s0014-2999(03)02008-9
BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM86280
PNG
(MCL-216)
Show SMILES Cc1ccccc1C1CNCCc2c(Br)c(O)c(O)cc12
Show InChI InChI=1S/C17H18BrNO2/c1-10-4-2-3-5-11(10)14-9-19-7-6-12-13(14)8-15(20)17(21)16(12)18/h2-5,8,14,19-21H,6-7,9H2,1H3
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Article
PubMed
133n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


Article DOI: 10.1016/s0014-2999(03)02008-9
BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM86280
PNG
(MCL-216)
Show SMILES Cc1ccccc1C1CNCCc2c(Br)c(O)c(O)cc12
Show InChI InChI=1S/C17H18BrNO2/c1-10-4-2-3-5-11(10)14-9-19-7-6-12-13(14)8-15(20)17(21)16(12)18/h2-5,8,14,19-21H,6-7,9H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

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Article
PubMed
398n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


Article DOI: 10.1016/s0014-2999(03)02008-9
BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair