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BDBM131882 US8835444, 5.27

SMILES: CCc1cc(C)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)n1

InChI Key: InChIKey=KUKANTJOKSAEMK-CZIWCDLHSA-N

Data: 2 IC50

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 = 131882   
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
Corticotropin releasing factor receptor 2


(Homo sapiens (Human))
BDBM131882
PNG
(US8835444, 5.27)
Show SMILES CCc1cc(C)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)n1 |r,wU:8.7,wD:11.14,(9.91,1.86,;8.58,2.63,;7.25,1.86,;6.77,.39,;5.23,.39,;4.46,-.94,;4.76,1.86,;3.42,2.63,;2.09,1.86,;2.09,.32,;.75,-.45,;-.58,.32,;-.58,1.86,;.75,2.63,;-1.91,-.45,;-3.25,.32,;-3.25,1.86,;-4.58,-.45,;-5.91,.32,;-7.25,-.45,;-7.25,-1.99,;-5.91,-2.76,;-4.58,-1.99,;-3.25,-2.76,;-8.58,.32,;-8.58,1.86,;-9.91,-.45,;-9.91,1.09,;6,2.76,)|
Show InChI InChI=1S/C21H25ClF3N3O/c1-3-16-10-13(2)28(27-16)12-14-4-7-17(8-5-14)26-20(29)18-11-15(21(23,24)25)6-9-19(18)22/h6,9-11,14,17H,3-5,7-8,12H2,1-2H3,(H,26,29)/t14-,17-
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.03E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...


US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM131882
PNG
(US8835444, 5.27)
Show SMILES CCc1cc(C)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)n1 |r,wU:8.7,wD:11.14,(9.91,1.86,;8.58,2.63,;7.25,1.86,;6.77,.39,;5.23,.39,;4.46,-.94,;4.76,1.86,;3.42,2.63,;2.09,1.86,;2.09,.32,;.75,-.45,;-.58,.32,;-.58,1.86,;.75,2.63,;-1.91,-.45,;-3.25,.32,;-3.25,1.86,;-4.58,-.45,;-5.91,.32,;-7.25,-.45,;-7.25,-1.99,;-5.91,-2.76,;-4.58,-1.99,;-3.25,-2.76,;-8.58,.32,;-8.58,1.86,;-9.91,-.45,;-9.91,1.09,;6,2.76,)|
Show InChI InChI=1S/C21H25ClF3N3O/c1-3-16-10-13(2)28(27-16)12-14-4-7-17(8-5-14)26-20(29)18-11-15(21(23,24)25)6-9-19(18)22/h6,9-11,14,17H,3-5,7-8,12H2,1-2H3,(H,26,29)/t14-,17-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 13n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human or rat recombinant CRF-1 or human CRF-2alpha (Chen et al, Proc Natl Acad Sci USA 90, 89...


US Patent US8835444 (2014)


BindingDB Entry DOI: 10.7270/Q28K77ST
More data for this
Ligand-Target Pair