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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Corticotropin-releasing factor receptor 1' and Ligand = 'BDBM9227'   
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
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM9227
PNG
(US8835444, 2.1)
Show SMILES Cc1nn(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)c(C)c1Cl |r,wU:5.4,wD:8.11,(7.23,-2.19,;6.46,-.86,;4.99,-.38,;4.99,1.16,;3.66,1.93,;2.33,1.16,;2.33,-.38,;.99,-1.15,;-.34,-.38,;-.34,1.16,;.99,1.93,;-1.68,-1.15,;-3.01,-.38,;-3.01,1.16,;-4.34,-1.15,;-5.68,-.38,;-7.01,-1.15,;-8.34,-.38,;-7.01,-2.69,;-5.68,-3.46,;-4.34,-2.69,;-3.01,-3.46,;6.46,1.64,;6.86,3.12,;7.36,.39,;8.9,.39,)|
Show InChI InChI=1S/C19H24Cl2N4O/c1-11-17(8-15(20)9-22-11)19(26)23-16-6-4-14(5-7-16)10-25-13(3)18(21)12(2)24-25/h8-9,14,16H,4-7,10H2,1-3H3,(H,23,26)/t14-,16-
PDB
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PC cid
PC sid
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Similars

US Patent
n/an/a 70n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing either the human recombinant CRF-1 or CRF-2a receptors (Chen et al., Proc Natl Acad Sci USA 90, 8967-897...


US Patent US8614213 (2013)


BindingDB Entry DOI: 10.7270/Q2ZS2V5K
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM9227
PNG
(US8835444, 2.1)
Show SMILES Cc1nn(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)c(C)c1Cl |r,wU:5.4,wD:8.11,(7.23,-2.19,;6.46,-.86,;4.99,-.38,;4.99,1.16,;3.66,1.93,;2.33,1.16,;2.33,-.38,;.99,-1.15,;-.34,-.38,;-.34,1.16,;.99,1.93,;-1.68,-1.15,;-3.01,-.38,;-3.01,1.16,;-4.34,-1.15,;-5.68,-.38,;-7.01,-1.15,;-8.34,-.38,;-7.01,-2.69,;-5.68,-3.46,;-4.34,-2.69,;-3.01,-3.46,;6.46,1.64,;6.86,3.12,;7.36,.39,;8.9,.39,)|
Show InChI InChI=1S/C19H24Cl2N4O/c1-11-17(8-15(20)9-22-11)19(26)23-16-6-4-14(5-7-16)10-25-13(3)18(21)12(2)24-25/h8-9,14,16H,4-7,10H2,1-3H3,(H,23,26)/t14-,16-
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 256n/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