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SMILES: Cc1nc(no1)-c1ccc(cc1)-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C

InChI Key: InChIKey=CCKIRENVCMGNMA-KCWPFWIISA-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 = 372015   
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))
BDBM372015
PNG
(US10239870, Example 275)
Show SMILES Cc1nc(no1)-c1ccc(cc1)-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|
Show InChI InChI=1S/C28H29F3N6OS/c1-18-32-24(35-38-18)20-4-6-21(7-5-20)25-33-34-26(36(25)2)39-15-3-13-37-14-12-27(17-37)16-23(27)19-8-10-22(11-9-19)28(29,30)31/h4-11,23H,3,12-17H2,1-2H3/t23-,27+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.117n/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))
BDBM372015
PNG
(US10239870, Example 275)
Show SMILES Cc1nc(no1)-c1ccc(cc1)-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|
Show InChI InChI=1S/C28H29F3N6OS/c1-18-32-24(35-38-18)20-4-6-21(7-5-20)25-33-34-26(36(25)2)39-15-3-13-37-14-12-27(17-37)16-23(27)19-8-10-22(11-9-19)28(29,30)31/h4-11,23H,3,12-17H2,1-2H3/t23-,27+/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
479n/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