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BDBM50206681 (S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)-N-((S)-1-(furan-3-ylmethyl)pyrrolidin-3-yl)-N-methylpyrrolidine-1-carboxamide::CHEMBL243045

SMILES: CN([C@H]1CCN(Cc2ccoc2)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1

InChI Key: InChIKey=JJJKKFREMVFRMZ-VXKWHMMOSA-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 = 50206681   
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))
BDBM50206681
PNG
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)
Show SMILES CN([C@H]1CCN(Cc2ccoc2)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H28ClN5O3S/c1-30(21-6-9-31(14-21)13-18-8-11-36-16-18)27(35)32-10-7-22(15-32)33-17-29-23-12-24(37-25(23)26(33)34)19-2-4-20(28)5-3-19/h2-5,8,11-12,16-17,21-22H,6-7,9-10,13-15H2,1H3/t21-,22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4n/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))
BDBM50206681
PNG
((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...)
Show SMILES CN([C@H]1CCN(Cc2ccoc2)C1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H28ClN5O3S/c1-30(21-6-9-31(14-21)13-18-8-11-36-16-18)27(35)32-10-7-22(15-32)33-17-29-23-12-24(37-25(23)26(33)34)19-2-4-20(28)5-3-19/h2-5,8,11-12,16-17,21-22H,6-7,9-10,13-15H2,1H3/t21-,22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/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