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BDBM282832 6-(4-(3-chloro-4-fluorophenyl)-1-((cis)-3- hydroxycyclobutyl)-1H-imidazol-5-yl)imidazo[1,2- b]pyridazine-3-carbonitrile::US10287295, Example 39'::US9884868, Example 39'

SMILES: O[C@H]1C[C@H](C1)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1

InChI Key: InChIKey=OJNNUDOOADABHK-XBXGTLAGSA-N

Data: 4 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 4 hits for monomerid = 282832   
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
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM282832
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-((cis)-3- hydroxy...)
Show SMILES O[C@H]1C[C@H](C1)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1 |r,wU:3.5,1.0,(-2.83,-5.84,;-1.74,-4.75,;-1.74,-3.21,;-.2,-3.21,;-.2,-4.75,;.88,-2.12,;2.35,-2.6,;3.25,-1.35,;2.35,-.11,;.88,-.58,;-.45,.19,;-.45,1.73,;-1.78,2.5,;-3.12,1.73,;-4.58,2.2,;-5.49,.96,;-4.58,-.29,;-5.06,-1.75,;-5.53,-3.22,;-3.12,.19,;-1.78,-.58,;2.75,1.38,;1.66,2.47,;2.06,3.96,;3.54,4.35,;3.94,5.84,;4.63,3.27,;6.12,3.66,;4.24,1.78,)|
Show InChI InChI=1S/C20H14ClFN6O/c21-15-5-11(1-2-16(15)22)19-20(27(10-25-19)12-6-14(29)7-12)17-3-4-18-24-9-13(8-23)28(18)26-17/h1-5,9-10,12,14,29H,6-7H2/t12-,14+
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/an/an/an/a7.425



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


US Patent US9884868 (2018)


BindingDB Entry DOI: 10.7270/Q20P122M
More data for this
Ligand-Target Pair
TGF-beta receptor type II


(Homo sapiens (Human))
BDBM282832
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-((cis)-3- hydroxy...)
Show SMILES O[C@H]1C[C@H](C1)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1 |r,wU:3.5,1.0,(-2.83,-5.84,;-1.74,-4.75,;-1.74,-3.21,;-.2,-3.21,;-.2,-4.75,;.88,-2.12,;2.35,-2.6,;3.25,-1.35,;2.35,-.11,;.88,-.58,;-.45,.19,;-.45,1.73,;-1.78,2.5,;-3.12,1.73,;-4.58,2.2,;-5.49,.96,;-4.58,-.29,;-5.06,-1.75,;-5.53,-3.22,;-3.12,.19,;-1.78,-.58,;2.75,1.38,;1.66,2.47,;2.06,3.96,;3.54,4.35,;3.94,5.84,;4.63,3.27,;6.12,3.66,;4.24,1.78,)|
Show InChI InChI=1S/C20H14ClFN6O/c21-15-5-11(1-2-16(15)22)19-20(27(10-25-19)12-6-14(29)7-12)17-3-4-18-24-9-13(8-23)28(18)26-17/h1-5,9-10,12,14,29H,6-7H2/t12-,14+
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 4.47E+3n/an/an/an/an/an/a



University of Wisconsin at Madison



Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


J Med Chem 51: 7243-52 (2008)


BindingDB Entry DOI: 10.7270/Q2B85BFB
More data for this
Ligand-Target Pair
TGF-betaR1 T204D


(Homo sapiens (Human))
BDBM282832
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-((cis)-3- hydroxy...)
Show SMILES O[C@H]1C[C@H](C1)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1 |r,wU:3.5,1.0,(-2.83,-5.84,;-1.74,-4.75,;-1.74,-3.21,;-.2,-3.21,;-.2,-4.75,;.88,-2.12,;2.35,-2.6,;3.25,-1.35,;2.35,-.11,;.88,-.58,;-.45,.19,;-.45,1.73,;-1.78,2.5,;-3.12,1.73,;-4.58,2.2,;-5.49,.96,;-4.58,-.29,;-5.06,-1.75,;-5.53,-3.22,;-3.12,.19,;-1.78,-.58,;2.75,1.38,;1.66,2.47,;2.06,3.96,;3.54,4.35,;3.94,5.84,;4.63,3.27,;6.12,3.66,;4.24,1.78,)|
Show InChI InChI=1S/C20H14ClFN6O/c21-15-5-11(1-2-16(15)22)19-20(27(10-25-19)12-6-14(29)7-12)17-3-4-18-24-9-13(8-23)28(18)26-17/h1-5,9-10,12,14,29H,6-7H2/t12-,14+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/an/an/an/an/an/a



University of Wisconsin at Madison



Assay Description
Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...


J Med Chem 51: 7243-52 (2008)


BindingDB Entry DOI: 10.7270/Q2B85BFB
More data for this
Ligand-Target Pair
TGF-beta receptor type II


(Homo sapiens (Human))
BDBM282832
PNG
(6-(4-(3-chloro-4-fluorophenyl)-1-((cis)-3- hydroxy...)
Show SMILES O[C@H]1C[C@H](C1)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1 |r,wU:3.5,1.0,(-2.83,-5.84,;-1.74,-4.75,;-1.74,-3.21,;-.2,-3.21,;-.2,-4.75,;.88,-2.12,;2.35,-2.6,;3.25,-1.35,;2.35,-.11,;.88,-.58,;-.45,.19,;-.45,1.73,;-1.78,2.5,;-3.12,1.73,;-4.58,2.2,;-5.49,.96,;-4.58,-.29,;-5.06,-1.75,;-5.53,-3.22,;-3.12,.19,;-1.78,-.58,;2.75,1.38,;1.66,2.47,;2.06,3.96,;3.54,4.35,;3.94,5.84,;4.63,3.27,;6.12,3.66,;4.24,1.78,)|
Show InChI InChI=1S/C20H14ClFN6O/c21-15-5-11(1-2-16(15)22)19-20(27(10-25-19)12-6-14(29)7-12)17-3-4-18-24-9-13(8-23)28(18)26-17/h1-5,9-10,12,14,29H,6-7H2/t12-,14+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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UniProtKB/TrEMBL

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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.47E+3n/an/an/an/an/an/a



Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company

US Patent




US Patent US9884868 (2018)


BindingDB Entry DOI: 10.7270/Q20P122M
More data for this
Ligand-Target Pair