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BDBM112691 US8629158, 16::US8629158, 4

SMILES: Cn1c2CC3CCC(N3)c2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(cn1)C(F)(F)F

InChI Key: InChIKey=WSPSSCWJQMVPSM-UHFFFAOYSA-N

Data: 2 KI

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 = 112691   
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))
BDBM112691
PNG
(US8629158, 16 | US8629158, 4)
Show SMILES Cn1c2CC3CCC(N3)c2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(cn1)C(F)(F)F |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C25H21F3N4O/c1-31-21-12-17(4-5-18(21)24-20-7-3-16(30-20)11-22(24)31)32-9-8-14(10-23(32)33)19-6-2-15(13-29-19)25(26,27)28/h2,4-6,8-10,12-13,16,20,30H,3,7,11H2,1H3
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
14 -10.7n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8629158 (2014)


BindingDB Entry DOI: 10.7270/Q24J0CS7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM112691
PNG
(US8629158, 16 | US8629158, 4)
Show SMILES Cn1c2CC3CCC(N3)c2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(cn1)C(F)(F)F |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C25H21F3N4O/c1-31-21-12-17(4-5-18(21)24-20-7-3-16(30-20)11-22(24)31)32-9-8-14(10-23(32)33)19-6-2-15(13-29-19)25(26,27)28/h2,4-6,8-10,12-13,16,20,30H,3,7,11H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
16.1 -10.6n/an/an/an/an/a7.425



Albany Molecular Research, Inc.

US Patent


Assay Description
Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)et...


US Patent US8629158 (2014)


BindingDB Entry DOI: 10.7270/Q24J0CS7
More data for this
Ligand-Target Pair