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BDBM50306322 CHEMBL597909::N-((6aS,13bR)-11-chloro-12-hydroxy-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-3-yl)methanesulfonamide

SMILES: CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1cc(NS(C)(=O)=O)ccc21

InChI Key: InChIKey=NUYPKYQEAJIFFC-AZUAARDMSA-N

Data: 4 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 4 hits for monomerid = 50306322   
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(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50306322
PNG
(CHEMBL597909 | N-((6aS,13bR)-11-chloro-12-hydroxy-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1cc(NS(C)(=O)=O)ccc21
Show InChI InChI=1S/C20H23ClN2O3S/c1-23-8-7-13-10-17(21)19(24)11-16(13)20-15-5-4-14(22-27(2,25)26)9-12(15)3-6-18(20)23/h4-5,9-11,18,20,22,24H,3,6-8H2,1-2H3/t18-,20+/m0/s1
KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50306322
PNG
(CHEMBL597909 | N-((6aS,13bR)-11-chloro-12-hydroxy-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1cc(NS(C)(=O)=O)ccc21
Show InChI InChI=1S/C20H23ClN2O3S/c1-23-8-7-13-10-17(21)19(24)11-16(13)20-15-5-4-14(22-27(2,25)26)9-12(15)3-6-18(20)23/h4-5,9-11,18,20,22,24H,3,6-8H2,1-2H3/t18-,20+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D5 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50306322
PNG
(CHEMBL597909 | N-((6aS,13bR)-11-chloro-12-hydroxy-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1cc(NS(C)(=O)=O)ccc21
Show InChI InChI=1S/C20H23ClN2O3S/c1-23-8-7-13-10-17(21)19(24)11-16(13)20-15-5-4-14(22-27(2,25)26)9-12(15)3-6-18(20)23/h4-5,9-11,18,20,22,24H,3,6-8H2,1-2H3/t18-,20+/m0/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Similars

Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50306322
PNG
(CHEMBL597909 | N-((6aS,13bR)-11-chloro-12-hydroxy-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1cc(NS(C)(=O)=O)ccc21
Show InChI InChI=1S/C20H23ClN2O3S/c1-23-8-7-13-10-17(21)19(24)11-16(13)20-15-5-4-14(22-27(2,25)26)9-12(15)3-6-18(20)23/h4-5,9-11,18,20,22,24H,3,6-8H2,1-2H3/t18-,20+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D4 receptor


Bioorg Med Chem Lett 20: 836-40 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.100
BindingDB Entry DOI: 10.7270/Q23N23HT
More data for this
Ligand-Target Pair