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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM190352'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM190352
PNG
(US9670201, 99 3-cyano-N-(3-((1R,5S,8r)-3-(cyclopen...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3C4CC[C@H]3CN(C4)C(=O)C3CCCC3)c2c1C |r|
Show InChI InChI=1S/C31H35N5O3/c1-18-25(34-30(37)20-10-11-26(39-3)23(12-20)13-32)14-33-29-27(18)24(17-35(29)2)28-21-8-9-22(28)16-36(15-21)31(38)19-6-4-5-7-19/h10-12,14,17,19,21-22,28H,4-9,15-16H2,1-3H3,(H,34,37)/t21-,22?,28?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/an/an/an/a7.525



Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


US Patent US9670201 (2017)


BindingDB Entry DOI: 10.7270/Q28G8HWT
More data for this
Ligand-Target Pair