Reaction Details Report a problem with these data
Target
G-protein coupled receptor 35
Ligand
BDBM61607
Substrate
n/a
Meas. Tech.
Image-Based HTS for Selective Antagonists of GPR35
IC50
990.6811±n/a nM
Citation
 PubChem, PC Image-Based HTS for Selective Antagonists of GPR35 PubChem Bioassay (2010)[AID] 
Target
Name:
G-protein coupled receptor 35
Synonyms:
G protein-coupled receptor 35 | GPR35 | GPR35_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
34085.57
Organism:
Homo sapiens (Human)
Description:
gi_33695097
Residue:
309
Sequence:
MNGTYNTCGSSDLTWPPAIKLGFYAYLGVLLVLGLLLNSLALWVFCCRMQQWTETRIYMTNLAVADLCLLCTLPFVLHSLRDTSDTPLCQLSQGIYLTNRYMSISLVTAIAVDRYVAVRHPLRARGLRSPRQAAAVCAVLWVLVIGSLVARWLLGIQEGGFCFRSTRHNFNSMAFPLLGFYLPLAVVVFCSLKVVTALAQRPPTDVGQAEATRKAARMVWANLLVFVVCFLPLHVGLTVRLAVGWNACALLETIRRALYITSKLSDANCCLDAICYYYMAKEFQEASALAVAPSAKAHKSQDSLCVTLA
  
Inhibitor
Name:
BDBM61607
Synonyms:
6-Amino-2-methyl-8-thiophen-3-yl-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile | 6-amino-2-methyl-8-(3-thienyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile | 6-amino-2-methyl-8-(3-thiophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile | 6-amino-2-methyl-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile | 6-azanyl-2-methyl-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile | MLS000552599 | SMR000146114 | cid_3804843
Type:
Small organic molecule
Emp. Form.:
C17H15N5S
Mol. Mass.:
321.4
SMILES:
CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1ccsc1 |c:4|
Structure:
Search PDB for entries with ligand similarity: