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BDBM258799 US9499482, 218

SMILES: COc1cc(ccc1OCCN1CC(C1)NC(=O)OC(C)(C)C)N1CC=C(Oc2ccc(cc2)-c2ccccc2)C1=O

InChI Key: InChIKey=MWCFXTXJGQNGKP-UHFFFAOYSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 258799   
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 1 (MCHR1)(E4Q)(A5T)


(Homo sapiens (Human))
BDBM258799
PNG
(US9499482, 218)
Show SMILES COc1cc(ccc1OCCN1CC(C1)NC(=O)OC(C)(C)C)N1CC=C(Oc2ccc(cc2)-c2ccccc2)C1=O |t:27|
Show InChI InChI=1S/C33H37N3O6/c1-33(2,3)42-32(38)34-25-21-35(22-25)18-19-40-28-15-12-26(20-30(28)39-4)36-17-16-29(31(36)37)41-27-13-10-24(11-14-27)23-8-6-5-7-9-23/h5-16,20,25H,17-19,21-22H2,1-4H3,(H,34,38)
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PC cid
PC sid
UniChem
US Patent
0.700n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...


US Patent US9499482 (2016)


BindingDB Entry DOI: 10.7270/Q2M907KT
More data for this
Ligand-Target Pair