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BDBM304425 (R)-2-(4-(4-(5-(hydroxymethyl)-4-(trifluoromethyl)pyrimidin-2-yl)-3-isopropylpiperazin-1-yl)-2-(methylsulfonyl)phenyl)thiazole-4-carbonitrile::US10144715, Compound 11-12

SMILES: CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(-c2nc(cs2)C#N)c(c1)S(C)(=O)=O

InChI Key: InChIKey=MQKQOJAXHYOTRU-IBGZPJMESA-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 = 304425   
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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM304425
PNG
((R)-2-(4-(4-(5-(hydroxymethyl)-4-(trifluoromethyl)...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(-c2nc(cs2)C#N)c(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H25F3N6O3S2/c1-14(2)19-11-32(6-7-33(19)23-29-10-15(12-34)21(31-23)24(25,26)27)17-4-5-18(20(8-17)38(3,35)36)22-30-16(9-28)13-37-22/h4-5,8,10,13-14,19,34H,6-7,11-12H2,1-3H3/t19-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
8n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...


US Patent US10144715 (2018)


BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM304425
PNG
((R)-2-(4-(4-(5-(hydroxymethyl)-4-(trifluoromethyl)...)
Show SMILES CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(-c2nc(cs2)C#N)c(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H25F3N6O3S2/c1-14(2)19-11-32(6-7-33(19)23-29-10-15(12-34)21(31-23)24(25,26)27)17-4-5-18(20(8-17)38(3,35)36)22-30-16(9-28)13-37-22/h4-5,8,10,13-14,19,34H,6-7,11-12H2,1-3H3/t19-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
194n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...


US Patent US10144715 (2018)


BindingDB Entry DOI: 10.7270/Q2PV6NFD
More data for this
Ligand-Target Pair