BindingDB logo
myBDB logout

null

SMILES: Cc1ccccc1N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2cccs2)CC1

InChI Key: InChIKey=HPSXIRMSZPEQTB-MEMLXQNLSA-N

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 2 hits for monomerid = 50290232   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50290232
PNG
(CHEMBL309501 | Thiophene-2-carboxylic acid {4-[2-(...)
Show SMILES Cc1ccccc1N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2cccs2)CC1 |wU:13.13,wD:16.20,(14.33,-.78,;15.14,-2.08,;16.67,-2.05,;17.48,-3.37,;16.74,-4.72,;15.2,-4.76,;14.4,-3.44,;12.86,-3.46,;12.13,-4.81,;10.59,-4.84,;9.78,-3.53,;8.24,-3.55,;7.49,-4.9,;5.95,-4.91,;5.16,-6.24,;3.62,-6.24,;2.87,-4.91,;3.62,-3.58,;5.16,-3.58,;1.33,-4.92,;.56,-6.25,;-.98,-6.26,;1.33,-7.58,;2.85,-7.66,;2.71,-10.32,;1.17,-10.23,;.47,-8.87,;10.53,-2.18,;12.07,-2.15,)|
Show InChI InChI=1S/C24H33N3OS/c1-19-5-2-3-6-22(19)27-16-14-26(15-17-27)13-12-20-8-10-21(11-9-20)25-24(28)23-7-4-18-29-23/h2-7,18,20-21H,8-17H2,1H3,(H,25,28)/t20-,21-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace radioligand [3H]N-0437 from human dopamine D2 receptor transfected chinese hamster ovary cell membranes.


Bioorg Med Chem Lett 7: 2403-2408 (1997)


Article DOI: 10.1016/S0960-894X(97)00443-5
BindingDB Entry DOI: 10.7270/Q27W6CQ0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50290232
PNG
(CHEMBL309501 | Thiophene-2-carboxylic acid {4-[2-(...)
Show SMILES Cc1ccccc1N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2cccs2)CC1 |wU:13.13,wD:16.20,(14.33,-.78,;15.14,-2.08,;16.67,-2.05,;17.48,-3.37,;16.74,-4.72,;15.2,-4.76,;14.4,-3.44,;12.86,-3.46,;12.13,-4.81,;10.59,-4.84,;9.78,-3.53,;8.24,-3.55,;7.49,-4.9,;5.95,-4.91,;5.16,-6.24,;3.62,-6.24,;2.87,-4.91,;3.62,-3.58,;5.16,-3.58,;1.33,-4.92,;.56,-6.25,;-.98,-6.26,;1.33,-7.58,;2.85,-7.66,;2.71,-10.32,;1.17,-10.23,;.47,-8.87,;10.53,-2.18,;12.07,-2.15,)|
Show InChI InChI=1S/C24H33N3OS/c1-19-5-2-3-6-22(19)27-16-14-26(15-17-27)13-12-20-8-10-21(11-9-20)25-24(28)23-7-4-18-29-23/h2-7,18,20-21H,8-17H2,1H3,(H,25,28)/t20-,21-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
3.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace radioligand [3H]spiperone from human dopamine D3 receptor transfected chinese hamster ovary cell membranes.


Bioorg Med Chem Lett 7: 2403-2408 (1997)


Article DOI: 10.1016/S0960-894X(97)00443-5
BindingDB Entry DOI: 10.7270/Q27W6CQ0
More data for this
Ligand-Target Pair