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BDBM233236 US9346786, 40

SMILES: CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)c1ccc(cn1)C#N)C(=O)Oc1ccc(F)cc1

InChI Key: InChIKey=JDRFCJPQCVLRMX-LBNVMWSVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 233236   
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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM233236
PNG
(US9346786, 40)
Show SMILES CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)c1ccc(cn1)C#N)C(=O)Oc1ccc(F)cc1
Show InChI InChI=1S/C31H30ClF2N5O3/c1-2-39(31(41)42-24-7-5-23(33)6-8-24)28-19-38(18-25(28)22-4-9-26(32)27(34)15-22)30(40)21-11-13-37(14-12-21)29-10-3-20(16-35)17-36-29/h3-10,15,17,21,25,28H,2,11-14,18-19H2,1H3/t25-,28+/m0/s1
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
0.700n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK ...


US Patent US9346786 (2016)


BindingDB Entry DOI: 10.7270/Q20V8BPC
More data for this
Ligand-Target Pair