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SMILES: CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C

InChI Key: InChIKey=XLLPHYRQYQABDZ-UHFFFAOYSA-N

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 18 hits for monomerid = 427564   
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
Toll-like receptor 7


(Homo sapiens (Human))
BDBM427564
PNG
(6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
US Patent
n/an/a 0.650n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM427564
PNG
(6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3
UniProtKB/SwissProt

antibodypedia
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n/an/a 7.33E+3n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W4Z
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM427564
PNG
(6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3
UniProtKB/SwissProt

antibodypedia
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UniChem
US Patent
n/an/a 4.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM427564
PNG
(6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427564
PNG
(6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.270n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM427564
PNG
(6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.33E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM427564
PNG
(6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.650n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)


BindingDB Entry DOI: 10.7270/Q2H41VH3
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427564
PNG
(6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)


BindingDB Entry DOI: 10.7270/Q2H41VH3
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM427564
PNG
(6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)


BindingDB Entry DOI: 10.7270/Q2H41VH3
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM427564
PNG
(6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)


BindingDB Entry DOI: 10.7270/Q2H41VH3
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427564
PNG
(6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.270n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)


BindingDB Entry DOI: 10.7270/Q2H41VH3
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM427564
PNG
(6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.33E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10730877 (2020)


BindingDB Entry DOI: 10.7270/Q2H41VH3
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM427564
PNG
(6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
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UniChem
n/an/a 0.650n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W4Z
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427564
PNG
(6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.400n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W4Z
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM427564
PNG
(6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.40E+3n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W4Z
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM427564
PNG
(6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.70n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W4Z
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427564
PNG
(6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.270n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W4Z
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM427564
PNG
(6-(3-isopropyl-5-(piperazin-1-yl)-1H-pyrrolo[3,2-b...)
Show SMILES CC(C)c1c([nH]c2ccc(nc12)N1CCNCC1)-c1cn2ncnc2c(C)c1C
Show InChI InChI=1S/C22H27N7/c1-13(2)19-20(16-11-29-22(24-12-25-29)15(4)14(16)3)26-17-5-6-18(27-21(17)19)28-9-7-23-8-10-28/h5-6,11-13,23,26H,7-10H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK-Blue-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducible...


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair