BindingDB logo
myBDB logout

BDBM50206662 (S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)-N-methyl-N-((S)-1-((tetrahydro-2H-pyran-4-yl)methyl)pyrrolidin-3-yl)pyrrolidine-1-carboxamide::CHEMBL396957

SMILES: CN([C@H]1CCN(CC2CCOCC2)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1

InChI Key: InChIKey=LJLZPSQRAPUBTC-GOTSBHOMSA-N

Data: 1 KI  1 IC50

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 = 50206662   
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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50206662
PNG
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)
Show SMILES CN([C@H]1CCN(CC2CCOCC2)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H34ClN5O3S/c1-31(22-6-10-32(16-22)15-19-8-12-37-13-9-19)28(36)33-11-7-23(17-33)34-18-30-24-14-25(38-26(24)27(34)35)20-2-4-21(29)5-3-20/h2-5,14,18-19,22-23H,6-13,15-17H2,1H3/t22-,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1


Bioorg Med Chem Lett 17: 2535-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50206662
PNG
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)
Show SMILES CN([C@H]1CCN(CC2CCOCC2)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H34ClN5O3S/c1-31(22-6-10-32(16-22)15-19-8-12-37-13-9-19)28(36)33-11-7-23(17-33)34-18-30-24-14-25(38-26(24)27(34)35)20-2-4-21(29)5-3-20/h2-5,14,18-19,22-23H,6-13,15-17H2,1H3/t22-,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 17: 2535-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.012
BindingDB Entry DOI: 10.7270/Q23778CV
More data for this
Ligand-Target Pair