BindingDB logo
myBDB logout

BDBM81779 CAS_164252::NNC-687::NSC_164252

SMILES: CN1CCc2cc(c(O)cc2C(C1)c1cccc2CCOc12)[N+]([O-])=O

InChI Key: InChIKey=XZPSYCOYKJRHKE-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 = 81779   
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)
BDBM81779
PNG
(CAS_164252 | NNC-687 | NSC_164252)
Show SMILES CN1CCc2cc(c(O)cc2C(C1)c1cccc2CCOc12)[N+]([O-])=O
Show InChI InChI=1S/C19H20N2O4/c1-20-7-5-13-9-17(21(23)24)18(22)10-15(13)16(11-20)14-4-2-3-12-6-8-25-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

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



Novo Nordisk

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM81779
PNG
(CAS_164252 | NNC-687 | NSC_164252)
Show SMILES CN1CCc2cc(c(O)cc2C(C1)c1cccc2CCOc12)[N+]([O-])=O
Show InChI InChI=1S/C19H20N2O4/c1-20-7-5-13-9-17(21(23)24)18(22)10-15(13)16(11-20)14-4-2-3-12-6-8-25-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

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



Karolinska Institutet

Curated by PDSP Ki Database




Psychopharmacology (Berl) 113: 149-56 (1993)

More data for this
Ligand-Target Pair
Adenylate cyclase


(Rattus norvegicus)
BDBM81779
PNG
(CAS_164252 | NNC-687 | NSC_164252)
Show SMILES CN1CCc2cc(c(O)cc2C(C1)c1cccc2CCOc12)[N+]([O-])=O
Show InChI InChI=1S/C19H20N2O4/c1-20-7-5-13-9-17(21(23)24)18(22)10-15(13)16(11-20)14-4-2-3-12-6-8-25-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
9.10n/an/an/an/an/an/an/an/a



Novo Nordisk

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM81779
PNG
(CAS_164252 | NNC-687 | NSC_164252)
Show SMILES CN1CCc2cc(c(O)cc2C(C1)c1cccc2CCOc12)[N+]([O-])=O
Show InChI InChI=1S/C19H20N2O4/c1-20-7-5-13-9-17(21(23)24)18(22)10-15(13)16(11-20)14-4-2-3-12-6-8-25-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
355n/an/an/an/an/an/an/an/a



Novo Nordisk

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM81779
PNG
(CAS_164252 | NNC-687 | NSC_164252)
Show SMILES CN1CCc2cc(c(O)cc2C(C1)c1cccc2CCOc12)[N+]([O-])=O
Show InChI InChI=1S/C19H20N2O4/c1-20-7-5-13-9-17(21(23)24)18(22)10-15(13)16(11-20)14-4-2-3-12-6-8-25-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

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



Karolinska Institutet

Curated by PDSP Ki Database




Psychopharmacology (Berl) 113: 149-56 (1993)

More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM81779
PNG
(CAS_164252 | NNC-687 | NSC_164252)
Show SMILES CN1CCc2cc(c(O)cc2C(C1)c1cccc2CCOc12)[N+]([O-])=O
Show InChI InChI=1S/C19H20N2O4/c1-20-7-5-13-9-17(21(23)24)18(22)10-15(13)16(11-20)14-4-2-3-12-6-8-25-19(12)14/h2-4,9-10,16,22H,5-8,11H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

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



Novo Nordisk

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair