BindingDB logo
myBDB logout

BDBM382283 US10273244, Example 158::US10584135, Example 158

SMILES: Cn1c(SCCCN2C[C@@H]3CCN([C@@H]3C2)c2ccccc2C(F)(F)F)nnc1-c1ccncc1

InChI Key: InChIKey=RLIMJSGHBMXEDY-GHTZIAJQSA-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 = 382283   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM382283
PNG
(US10273244, Example 158 | US10584135, Example 158)
Show SMILES Cn1c(SCCCN2C[C@@H]3CCN([C@@H]3C2)c2ccccc2C(F)(F)F)nnc1-c1ccncc1 |r|
Show InChI InChI=1S/C24H27F3N6S/c1-31-22(17-7-10-28-11-8-17)29-30-23(31)34-14-4-12-32-15-18-9-13-33(21(18)16-32)20-6-3-2-5-19(20)24(25,26)27/h2-3,5-8,10-11,18,21H,4,9,12-16H2,1H3/t18-,21+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.78n/an/an/an/an/an/an/an/a



INDIVIOR UK LIMITED

US Patent


Assay Description
[3H]-Spiperone Binding Assay at hD3 and hD4 recombinant receptors CHO cells transiently transfected with human dopamine type 3 or 4 receptors (CHO-hD...


US Patent US10584135 (2020)


BindingDB Entry DOI: 10.7270/Q29S1TFG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM382283
PNG
(US10273244, Example 158 | US10584135, Example 158)
Show SMILES Cn1c(SCCCN2C[C@@H]3CCN([C@@H]3C2)c2ccccc2C(F)(F)F)nnc1-c1ccncc1 |r|
Show InChI InChI=1S/C24H27F3N6S/c1-31-22(17-7-10-28-11-8-17)29-30-23(31)34-14-4-12-32-15-18-9-13-33(21(18)16-32)20-6-3-2-5-19(20)24(25,26)27/h2-3,5-8,10-11,18,21H,4,9,12-16H2,1H3/t18-,21+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.78n/an/an/an/an/an/an/an/a



IRBM/Merck



Assay Description
3H]-Spiperone Binding Assay at hD3 and hD4 recombinant receptors CHO cells transiently transfected with human dopamine type 3 or 4 receptors (CHO-hD3...


Bioorg Med Chem Lett 18: 3456-61 (2008)


BindingDB Entry DOI: 10.7270/Q2RN3B5H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM382283
PNG
(US10273244, Example 158 | US10584135, Example 158)
Show SMILES Cn1c(SCCCN2C[C@@H]3CCN([C@@H]3C2)c2ccccc2C(F)(F)F)nnc1-c1ccncc1 |r|
Show InChI InChI=1S/C24H27F3N6S/c1-31-22(17-7-10-28-11-8-17)29-30-23(31)34-14-4-12-32-15-18-9-13-33(21(18)16-32)20-6-3-2-5-19(20)24(25,26)27/h2-3,5-8,10-11,18,21H,4,9,12-16H2,1H3/t18-,21+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
234n/an/an/an/an/an/an/an/a



INDIVIOR UK LIMITED

US Patent


Assay Description
CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to Gα16 protein (CHO-Gα16-hD2L) were re-suspended ...


US Patent US10584135 (2020)


BindingDB Entry DOI: 10.7270/Q29S1TFG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM382283
PNG
(US10273244, Example 158 | US10584135, Example 158)
Show SMILES Cn1c(SCCCN2C[C@@H]3CCN([C@@H]3C2)c2ccccc2C(F)(F)F)nnc1-c1ccncc1 |r|
Show InChI InChI=1S/C24H27F3N6S/c1-31-22(17-7-10-28-11-8-17)29-30-23(31)34-14-4-12-32-15-18-9-13-33(21(18)16-32)20-6-3-2-5-19(20)24(25,26)27/h2-3,5-8,10-11,18,21H,4,9,12-16H2,1H3/t18-,21+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
234n/an/an/an/an/an/an/an/a



IRBM/Merck



Assay Description
Functional Calcium Assay at hD2 recombinant receptor. CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to G&#...


Bioorg Med Chem Lett 18: 3456-61 (2008)


BindingDB Entry DOI: 10.7270/Q2RN3B5H
More data for this
Ligand-Target Pair