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SMILES: Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cnc(cn1)C(N)=O

InChI Key: InChIKey=REOIANOERYLQGC-HXOBKFHXSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 371980   
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


(Rattus norvegicus (Rat))
BDBM371980
PNG
(US10239870, Example 228)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cnc(cn1)C(N)=O |r|
Show InChI InChI=1S/C24H26F3N7OS/c1-33-21(19-13-29-18(12-30-19)20(28)35)31-32-22(33)36-10-2-8-34-9-7-23(14-34)11-17(23)15-3-5-16(6-4-15)24(25,26)27/h3-6,12-13,17H,2,7-11,14H2,1H3,(H2,28,35)/t17-,23+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.355n/an/an/an/an/an/an/an/a



Georgia Institute of Technology



Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


J Med Chem 51: 2816-32 (2008)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM371980
PNG
(US10239870, Example 228)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cnc(cn1)C(N)=O |r|
Show InChI InChI=1S/C24H26F3N7OS/c1-33-21(19-13-29-18(12-30-19)20(28)35)31-32-22(33)36-10-2-8-34-9-7-23(14-34)11-17(23)15-3-5-16(6-4-15)24(25,26)27/h3-6,12-13,17H,2,7-11,14H2,1H3,(H2,28,35)/t17-,23+/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
468n/an/an/an/an/an/an/an/a



Georgia Institute of Technology



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


J Med Chem 51: 2816-32 (2008)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
More data for this
Ligand-Target Pair