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BDBM50161999 (R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethyl)-5-(2-fluorophenyl)-6-methylpyrimidine-2,4(1H,3H)-dione::3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-5-(2-fluoro-phenyl)-6-methyl-1H-pyrimidine-2,4-dione::CHEMBL359810

SMILES: Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F

InChI Key: InChIKey=FSEVJYLGSSELNC-QHCPKHFHSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50161999   
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
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50161999
PNG
((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F |r,wD:14.15,(17.08,-29.9,;15.75,-29.13,;15.75,-27.59,;17.08,-26.82,;18.41,-27.59,;19.74,-26.82,;19.74,-25.28,;18.4,-24.51,;17.07,-25.28,;15.73,-24.52,;14.42,-26.81,;14.42,-25.27,;13.09,-27.59,;11.75,-26.82,;10.42,-27.6,;10.43,-29.14,;9.09,-26.83,;9.09,-25.29,;7.76,-24.53,;6.42,-25.3,;6.43,-26.85,;7.77,-27.61,;13.09,-29.13,;11.76,-29.9,;14.42,-29.89,;14.42,-31.43,;15.75,-32.2,;17.07,-31.43,;15.73,-30.66,;18.41,-32.19,;18.41,-33.74,;17.08,-34.51,;15.74,-33.74,;14.41,-34.51,)|
Show InChI InChI=1S/C26H22F3N3O2/c1-16-24(18-10-5-6-11-20(18)27)25(33)32(15-23(30)17-8-3-2-4-9-17)26(34)31(16)14-19-21(28)12-7-13-22(19)29/h2-13,23H,14-15,30H2,1H3/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Human gonadotropin-releasing hormone receptor


J Med Chem 48: 1169-78 (2005)


Article DOI: 10.1021/jm049218c
BindingDB Entry DOI: 10.7270/Q2MK6CD8
More data for this
Ligand-Target Pair
Gonadotropin releasing hormone 1 (GnRHR1)


(Homo sapiens (Human))
BDBM50161999
PNG
((R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethy...)
Show SMILES Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F |r,wD:14.15,(17.08,-29.9,;15.75,-29.13,;15.75,-27.59,;17.08,-26.82,;18.41,-27.59,;19.74,-26.82,;19.74,-25.28,;18.4,-24.51,;17.07,-25.28,;15.73,-24.52,;14.42,-26.81,;14.42,-25.27,;13.09,-27.59,;11.75,-26.82,;10.42,-27.6,;10.43,-29.14,;9.09,-26.83,;9.09,-25.29,;7.76,-24.53,;6.42,-25.3,;6.43,-26.85,;7.77,-27.61,;13.09,-29.13,;11.76,-29.9,;14.42,-29.89,;14.42,-31.43,;15.75,-32.2,;17.07,-31.43,;15.73,-30.66,;18.41,-32.19,;18.41,-33.74,;17.08,-34.51,;15.74,-33.74,;14.41,-34.51,)|
Show InChI InChI=1S/C26H22F3N3O2/c1-16-24(18-10-5-6-11-20(18)27)25(33)32(15-23(30)17-8-3-2-4-9-17)26(34)31(16)14-19-21(28)12-7-13-22(19)29/h2-13,23H,14-15,30H2,1H3/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity at human GnRH receptor


J Med Chem 51: 3331-48 (2008)


Article DOI: 10.1021/jm701249f
BindingDB Entry DOI: 10.7270/Q2KD1XQ0
More data for this
Ligand-Target Pair