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Compile Data Set for Download or QSAR

Found 222 hits with Last Name = 'harden' and Initial = 'dg'   
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
Small conductance calcium-activated potassium channel protein 3


(Homo sapiens (Human))
BDBM50260153
PNG
(Apamin | CHEMBL525408 | Octadecapeptide venom)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N2)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)[C@@H](C)O |r,wU:83.102,47.101,13.138,4.3,33.34,88.89,78.79,67.68,107.109,116.118,125.127,wD:26.30,52.106,56.57,17.17,135.140,8.8,38.39,93.94,(27.83,-36.7,;27.83,-35.16,;26.49,-34.38,;29.15,-34.38,;29.15,-32.85,;30.49,-32.08,;31.8,-32.85,;31.8,-34.38,;33.14,-32.08,;33.14,-30.53,;34.47,-32.85,;35.8,-32.08,;35.8,-30.53,;40.01,-33.02,;41.6,-32.04,;43.23,-32.89,;43.23,-34.42,;44.54,-32.11,;44.54,-30.57,;45.89,-29.8,;45.89,-28.26,;44.54,-27.49,;47.21,-27.49,;45.89,-32.89,;48.48,-32.23,;48.91,-30.87,;50.38,-34.89,;52.13,-34.44,;53.01,-35.96,;51.84,-36.95,;50.38,-36.43,;48.34,-38.91,;48.77,-40.45,;46.11,-38.58,;46.11,-37.03,;44.16,-39.41,;42.33,-38.62,;42.33,-37.09,;40.7,-39.47,;40.7,-40.99,;39.37,-41.76,;39.37,-43.3,;38.05,-44.06,;38.05,-45.59,;38.29,-38.35,;35.39,-39.38,;35.39,-40.91,;34.06,-38.61,;40.93,-30.71,;40.94,-27.32,;39.36,-26.12,;39.37,-23.14,;38.05,-22.37,;36.72,-23.15,;35.39,-22.38,;35.4,-20.84,;34.06,-23.15,;34.06,-24.68,;32.73,-25.46,;32.73,-26.98,;31.4,-27.31,;30.08,-26.97,;28.36,-27.74,;30.08,-25.44,;32.73,-22.39,;31.4,-23.16,;31.41,-24.7,;28.69,-22.34,;28.69,-20.8,;30.02,-20.04,;30.02,-18.5,;31.34,-17.73,;31.34,-16.2,;32.68,-15.42,;30.02,-15.42,;26.07,-23.55,;26.08,-25.1,;27.41,-25.88,;23.8,-26.94,;22.48,-26.19,;23.83,-29.77,;25.16,-30.53,;26.5,-29.77,;25.16,-32.08,;23.84,-32.85,;23.84,-34.38,;24.76,-36.3,;26.09,-37.07,;26.09,-38.61,;24.77,-39.38,;27.42,-39.38,;27.42,-40.91,;28.75,-38.61,;30.09,-39.38,;30.09,-40.91,;31.42,-41.68,;31.42,-43.23,;32.75,-40.91,;31.41,-38.61,;31.41,-37.07,;32.73,-39.38,;26.5,-32.85,;27.83,-32.08,;27.83,-30.53,;38.04,-20.83,;36.7,-20.07,;39.36,-20.06,;39.36,-18.52,;38.03,-17.74,;38.03,-16.21,;36.71,-15.43,;36.71,-13.9,;35.38,-16.21,;40.7,-17.74,;40.69,-16.21,;42.03,-18.52,;43.37,-17.74,;43.37,-16.2,;44.7,-15.42,;44.7,-13.89,;46.03,-13.1,;43.36,-13.12,;44.71,-18.51,;44.7,-20.05,;46.04,-17.73,;47.37,-18.52,;48.68,-17.74,;50.05,-18.53,;50.21,-20.07,;51.72,-20.4,;52.48,-19.07,;51.47,-17.91,;47.36,-20.05,;48.68,-20.83,;46.03,-20.83,;40.01,-34.57,;38.67,-35.33,;41.74,-35.33,)|
Show InChI InChI=1S/C79H131N31O24S4/c1-35(2)26-49-70(127)107-51-31-136-135-30-41(81)63(120)105-50(28-57(84)114)71(128)108-53(73(130)99-42(12-7-8-22-80)64(121)96-38(5)77(134)110-25-11-15-54(110)75(132)102-47(18-21-58(115)116)69(126)109-59(39(6)111)76(133)95-37(4)62(119)104-49)33-138-137-32-52(106-66(123)44(14-10-24-92-79(88)89)98-65(122)43(13-9-23-91-78(86)87)97-61(118)36(3)94-72(51)129)74(131)101-45(16-19-55(82)112)67(124)100-46(17-20-56(83)113)68(125)103-48(60(85)117)27-40-29-90-34-93-40/h29,34-39,41-54,59,111H,7-28,30-33,80-81H2,1-6H3,(H2,82,112)(H2,83,113)(H2,84,114)(H2,85,117)(H,90,93)(H,94,129)(H,95,133)(H,96,121)(H,97,118)(H,98,122)(H,99,130)(H,100,124)(H,101,131)(H,102,132)(H,103,125)(H,104,119)(H,105,120)(H,106,123)(H,107,127)(H,108,128)(H,109,126)(H,115,116)(H4,86,87,91)(H4,88,89,92)/t36-,37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0640n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel expressed in HEK293 cells by electrophysiology assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3


(Homo sapiens (Human))
BDBM50260153
PNG
(Apamin | CHEMBL525408 | Octadecapeptide venom)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N2)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)[C@@H](C)O |r,wU:83.102,47.101,13.138,4.3,33.34,88.89,78.79,67.68,107.109,116.118,125.127,wD:26.30,52.106,56.57,17.17,135.140,8.8,38.39,93.94,(27.83,-36.7,;27.83,-35.16,;26.49,-34.38,;29.15,-34.38,;29.15,-32.85,;30.49,-32.08,;31.8,-32.85,;31.8,-34.38,;33.14,-32.08,;33.14,-30.53,;34.47,-32.85,;35.8,-32.08,;35.8,-30.53,;40.01,-33.02,;41.6,-32.04,;43.23,-32.89,;43.23,-34.42,;44.54,-32.11,;44.54,-30.57,;45.89,-29.8,;45.89,-28.26,;44.54,-27.49,;47.21,-27.49,;45.89,-32.89,;48.48,-32.23,;48.91,-30.87,;50.38,-34.89,;52.13,-34.44,;53.01,-35.96,;51.84,-36.95,;50.38,-36.43,;48.34,-38.91,;48.77,-40.45,;46.11,-38.58,;46.11,-37.03,;44.16,-39.41,;42.33,-38.62,;42.33,-37.09,;40.7,-39.47,;40.7,-40.99,;39.37,-41.76,;39.37,-43.3,;38.05,-44.06,;38.05,-45.59,;38.29,-38.35,;35.39,-39.38,;35.39,-40.91,;34.06,-38.61,;40.93,-30.71,;40.94,-27.32,;39.36,-26.12,;39.37,-23.14,;38.05,-22.37,;36.72,-23.15,;35.39,-22.38,;35.4,-20.84,;34.06,-23.15,;34.06,-24.68,;32.73,-25.46,;32.73,-26.98,;31.4,-27.31,;30.08,-26.97,;28.36,-27.74,;30.08,-25.44,;32.73,-22.39,;31.4,-23.16,;31.41,-24.7,;28.69,-22.34,;28.69,-20.8,;30.02,-20.04,;30.02,-18.5,;31.34,-17.73,;31.34,-16.2,;32.68,-15.42,;30.02,-15.42,;26.07,-23.55,;26.08,-25.1,;27.41,-25.88,;23.8,-26.94,;22.48,-26.19,;23.83,-29.77,;25.16,-30.53,;26.5,-29.77,;25.16,-32.08,;23.84,-32.85,;23.84,-34.38,;24.76,-36.3,;26.09,-37.07,;26.09,-38.61,;24.77,-39.38,;27.42,-39.38,;27.42,-40.91,;28.75,-38.61,;30.09,-39.38,;30.09,-40.91,;31.42,-41.68,;31.42,-43.23,;32.75,-40.91,;31.41,-38.61,;31.41,-37.07,;32.73,-39.38,;26.5,-32.85,;27.83,-32.08,;27.83,-30.53,;38.04,-20.83,;36.7,-20.07,;39.36,-20.06,;39.36,-18.52,;38.03,-17.74,;38.03,-16.21,;36.71,-15.43,;36.71,-13.9,;35.38,-16.21,;40.7,-17.74,;40.69,-16.21,;42.03,-18.52,;43.37,-17.74,;43.37,-16.2,;44.7,-15.42,;44.7,-13.89,;46.03,-13.1,;43.36,-13.12,;44.71,-18.51,;44.7,-20.05,;46.04,-17.73,;47.37,-18.52,;48.68,-17.74,;50.05,-18.53,;50.21,-20.07,;51.72,-20.4,;52.48,-19.07,;51.47,-17.91,;47.36,-20.05,;48.68,-20.83,;46.03,-20.83,;40.01,-34.57,;38.67,-35.33,;41.74,-35.33,)|
Show InChI InChI=1S/C79H131N31O24S4/c1-35(2)26-49-70(127)107-51-31-136-135-30-41(81)63(120)105-50(28-57(84)114)71(128)108-53(73(130)99-42(12-7-8-22-80)64(121)96-38(5)77(134)110-25-11-15-54(110)75(132)102-47(18-21-58(115)116)69(126)109-59(39(6)111)76(133)95-37(4)62(119)104-49)33-138-137-32-52(106-66(123)44(14-10-24-92-79(88)89)98-65(122)43(13-9-23-91-78(86)87)97-61(118)36(3)94-72(51)129)74(131)101-45(16-19-55(82)112)67(124)100-46(17-20-56(83)113)68(125)103-48(60(85)117)27-40-29-90-34-93-40/h29,34-39,41-54,59,111H,7-28,30-33,80-81H2,1-6H3,(H2,82,112)(H2,83,113)(H2,84,114)(H2,85,117)(H,90,93)(H,94,129)(H,95,133)(H,96,121)(H,97,118)(H,98,122)(H,99,130)(H,100,124)(H,101,131)(H,102,132)(H,103,125)(H,104,119)(H,105,120)(H,106,123)(H,107,127)(H,108,128)(H,109,126)(H,115,116)(H4,86,87,91)(H4,88,89,92)/t36-,37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0640n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel (unknown origin) expressed in HEK293 cells by electrophysiology assay


Bioorg Med Chem Lett 18: 5694-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.026
BindingDB Entry DOI: 10.7270/Q2TM79Z6
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3


(Homo sapiens (Human))
BDBM50260153
PNG
(Apamin | CHEMBL525408 | Octadecapeptide venom)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N2)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)[C@@H](C)O |r,wU:83.102,47.101,13.138,4.3,33.34,88.89,78.79,67.68,107.109,116.118,125.127,wD:26.30,52.106,56.57,17.17,135.140,8.8,38.39,93.94,(27.83,-36.7,;27.83,-35.16,;26.49,-34.38,;29.15,-34.38,;29.15,-32.85,;30.49,-32.08,;31.8,-32.85,;31.8,-34.38,;33.14,-32.08,;33.14,-30.53,;34.47,-32.85,;35.8,-32.08,;35.8,-30.53,;40.01,-33.02,;41.6,-32.04,;43.23,-32.89,;43.23,-34.42,;44.54,-32.11,;44.54,-30.57,;45.89,-29.8,;45.89,-28.26,;44.54,-27.49,;47.21,-27.49,;45.89,-32.89,;48.48,-32.23,;48.91,-30.87,;50.38,-34.89,;52.13,-34.44,;53.01,-35.96,;51.84,-36.95,;50.38,-36.43,;48.34,-38.91,;48.77,-40.45,;46.11,-38.58,;46.11,-37.03,;44.16,-39.41,;42.33,-38.62,;42.33,-37.09,;40.7,-39.47,;40.7,-40.99,;39.37,-41.76,;39.37,-43.3,;38.05,-44.06,;38.05,-45.59,;38.29,-38.35,;35.39,-39.38,;35.39,-40.91,;34.06,-38.61,;40.93,-30.71,;40.94,-27.32,;39.36,-26.12,;39.37,-23.14,;38.05,-22.37,;36.72,-23.15,;35.39,-22.38,;35.4,-20.84,;34.06,-23.15,;34.06,-24.68,;32.73,-25.46,;32.73,-26.98,;31.4,-27.31,;30.08,-26.97,;28.36,-27.74,;30.08,-25.44,;32.73,-22.39,;31.4,-23.16,;31.41,-24.7,;28.69,-22.34,;28.69,-20.8,;30.02,-20.04,;30.02,-18.5,;31.34,-17.73,;31.34,-16.2,;32.68,-15.42,;30.02,-15.42,;26.07,-23.55,;26.08,-25.1,;27.41,-25.88,;23.8,-26.94,;22.48,-26.19,;23.83,-29.77,;25.16,-30.53,;26.5,-29.77,;25.16,-32.08,;23.84,-32.85,;23.84,-34.38,;24.76,-36.3,;26.09,-37.07,;26.09,-38.61,;24.77,-39.38,;27.42,-39.38,;27.42,-40.91,;28.75,-38.61,;30.09,-39.38,;30.09,-40.91,;31.42,-41.68,;31.42,-43.23,;32.75,-40.91,;31.41,-38.61,;31.41,-37.07,;32.73,-39.38,;26.5,-32.85,;27.83,-32.08,;27.83,-30.53,;38.04,-20.83,;36.7,-20.07,;39.36,-20.06,;39.36,-18.52,;38.03,-17.74,;38.03,-16.21,;36.71,-15.43,;36.71,-13.9,;35.38,-16.21,;40.7,-17.74,;40.69,-16.21,;42.03,-18.52,;43.37,-17.74,;43.37,-16.2,;44.7,-15.42,;44.7,-13.89,;46.03,-13.1,;43.36,-13.12,;44.71,-18.51,;44.7,-20.05,;46.04,-17.73,;47.37,-18.52,;48.68,-17.74,;50.05,-18.53,;50.21,-20.07,;51.72,-20.4,;52.48,-19.07,;51.47,-17.91,;47.36,-20.05,;48.68,-20.83,;46.03,-20.83,;40.01,-34.57,;38.67,-35.33,;41.74,-35.33,)|
Show InChI InChI=1S/C79H131N31O24S4/c1-35(2)26-49-70(127)107-51-31-136-135-30-41(81)63(120)105-50(28-57(84)114)71(128)108-53(73(130)99-42(12-7-8-22-80)64(121)96-38(5)77(134)110-25-11-15-54(110)75(132)102-47(18-21-58(115)116)69(126)109-59(39(6)111)76(133)95-37(4)62(119)104-49)33-138-137-32-52(106-66(123)44(14-10-24-92-79(88)89)98-65(122)43(13-9-23-91-78(86)87)97-61(118)36(3)94-72(51)129)74(131)101-45(16-19-55(82)112)67(124)100-46(17-20-56(83)113)68(125)103-48(60(85)117)27-40-29-90-34-93-40/h29,34-39,41-54,59,111H,7-28,30-33,80-81H2,1-6H3,(H2,82,112)(H2,83,113)(H2,84,114)(H2,85,117)(H,90,93)(H,94,129)(H,95,133)(H,96,121)(H,97,118)(H,98,122)(H,99,130)(H,100,124)(H,101,131)(H,102,132)(H,103,125)(H,104,119)(H,105,120)(H,106,123)(H,107,127)(H,108,128)(H,109,126)(H,115,116)(H4,86,87,91)(H4,88,89,92)/t36-,37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.168n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3


(Homo sapiens (Human))
BDBM50260153
PNG
(Apamin | CHEMBL525408 | Octadecapeptide venom)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N2)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)[C@@H](C)O |r,wU:83.102,47.101,13.138,4.3,33.34,88.89,78.79,67.68,107.109,116.118,125.127,wD:26.30,52.106,56.57,17.17,135.140,8.8,38.39,93.94,(27.83,-36.7,;27.83,-35.16,;26.49,-34.38,;29.15,-34.38,;29.15,-32.85,;30.49,-32.08,;31.8,-32.85,;31.8,-34.38,;33.14,-32.08,;33.14,-30.53,;34.47,-32.85,;35.8,-32.08,;35.8,-30.53,;40.01,-33.02,;41.6,-32.04,;43.23,-32.89,;43.23,-34.42,;44.54,-32.11,;44.54,-30.57,;45.89,-29.8,;45.89,-28.26,;44.54,-27.49,;47.21,-27.49,;45.89,-32.89,;48.48,-32.23,;48.91,-30.87,;50.38,-34.89,;52.13,-34.44,;53.01,-35.96,;51.84,-36.95,;50.38,-36.43,;48.34,-38.91,;48.77,-40.45,;46.11,-38.58,;46.11,-37.03,;44.16,-39.41,;42.33,-38.62,;42.33,-37.09,;40.7,-39.47,;40.7,-40.99,;39.37,-41.76,;39.37,-43.3,;38.05,-44.06,;38.05,-45.59,;38.29,-38.35,;35.39,-39.38,;35.39,-40.91,;34.06,-38.61,;40.93,-30.71,;40.94,-27.32,;39.36,-26.12,;39.37,-23.14,;38.05,-22.37,;36.72,-23.15,;35.39,-22.38,;35.4,-20.84,;34.06,-23.15,;34.06,-24.68,;32.73,-25.46,;32.73,-26.98,;31.4,-27.31,;30.08,-26.97,;28.36,-27.74,;30.08,-25.44,;32.73,-22.39,;31.4,-23.16,;31.41,-24.7,;28.69,-22.34,;28.69,-20.8,;30.02,-20.04,;30.02,-18.5,;31.34,-17.73,;31.34,-16.2,;32.68,-15.42,;30.02,-15.42,;26.07,-23.55,;26.08,-25.1,;27.41,-25.88,;23.8,-26.94,;22.48,-26.19,;23.83,-29.77,;25.16,-30.53,;26.5,-29.77,;25.16,-32.08,;23.84,-32.85,;23.84,-34.38,;24.76,-36.3,;26.09,-37.07,;26.09,-38.61,;24.77,-39.38,;27.42,-39.38,;27.42,-40.91,;28.75,-38.61,;30.09,-39.38,;30.09,-40.91,;31.42,-41.68,;31.42,-43.23,;32.75,-40.91,;31.41,-38.61,;31.41,-37.07,;32.73,-39.38,;26.5,-32.85,;27.83,-32.08,;27.83,-30.53,;38.04,-20.83,;36.7,-20.07,;39.36,-20.06,;39.36,-18.52,;38.03,-17.74,;38.03,-16.21,;36.71,-15.43,;36.71,-13.9,;35.38,-16.21,;40.7,-17.74,;40.69,-16.21,;42.03,-18.52,;43.37,-17.74,;43.37,-16.2,;44.7,-15.42,;44.7,-13.89,;46.03,-13.1,;43.36,-13.12,;44.71,-18.51,;44.7,-20.05,;46.04,-17.73,;47.37,-18.52,;48.68,-17.74,;50.05,-18.53,;50.21,-20.07,;51.72,-20.4,;52.48,-19.07,;51.47,-17.91,;47.36,-20.05,;48.68,-20.83,;46.03,-20.83,;40.01,-34.57,;38.67,-35.33,;41.74,-35.33,)|
Show InChI InChI=1S/C79H131N31O24S4/c1-35(2)26-49-70(127)107-51-31-136-135-30-41(81)63(120)105-50(28-57(84)114)71(128)108-53(73(130)99-42(12-7-8-22-80)64(121)96-38(5)77(134)110-25-11-15-54(110)75(132)102-47(18-21-58(115)116)69(126)109-59(39(6)111)76(133)95-37(4)62(119)104-49)33-138-137-32-52(106-66(123)44(14-10-24-92-79(88)89)98-65(122)43(13-9-23-91-78(86)87)97-61(118)36(3)94-72(51)129)74(131)101-45(16-19-55(82)112)67(124)100-46(17-20-56(83)113)68(125)103-48(60(85)117)27-40-29-90-34-93-40/h29,34-39,41-54,59,111H,7-28,30-33,80-81H2,1-6H3,(H2,82,112)(H2,83,113)(H2,84,114)(H2,85,117)(H,90,93)(H,94,129)(H,95,133)(H,96,121)(H,97,118)(H,98,122)(H,99,130)(H,100,124)(H,101,131)(H,102,132)(H,103,125)(H,104,119)(H,105,120)(H,106,123)(H,107,127)(H,108,128)(H,109,126)(H,115,116)(H4,86,87,91)(H4,88,89,92)/t36-,37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
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n/an/a 0.168n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel (unknown origin) expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5694-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.026
BindingDB Entry DOI: 10.7270/Q2TM79Z6
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528302
PNG
(CHEMBL4551932)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCCOc3ccccc3)cc(OC)cc2o1
Show InChI InChI=1S/C22H19N3O5S/c1-26-15-10-18(29-9-8-28-14-6-4-3-5-7-14)16-12-20(30-19(16)11-15)17-13-25-21(23-17)31-22(24-25)27-2/h3-7,10-13H,8-9H2,1-2H3
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n/an/a 0.810n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528303
PNG
(CHEMBL4462511)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(Sc4ccccc4)c3)cc(OC)cc2o1
Show InChI InChI=1S/C27H21N3O4S2/c1-31-18-12-23(33-16-17-7-6-10-20(11-17)35-19-8-4-3-5-9-19)21-14-25(34-24(21)13-18)22-15-30-26(28-22)36-27(29-30)32-2/h3-15H,16H2,1-2H3
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n/an/a 0.890n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528281
PNG
(CHEMBL4457190)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)C#N)cc(OC)cc2o1
Show InChI InChI=1S/C22H16N4O4S/c1-27-15-7-18(29-12-14-5-3-4-13(6-14)10-23)16-9-20(30-19(16)8-15)17-11-26-21(24-17)31-22(25-26)28-2/h3-9,11H,12H2,1-2H3
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n/an/a 0.980n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364615
PNG
(US9862730, Example 73)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OC)cc(OC)cc2o1
Show InChI InChI=1S/C15H13N3O4S/c1-19-8-4-11(20-2)9-6-13(22-12(9)5-8)10-7-18-14(16-10)23-15(17-18)21-3/h4-7H,1-3H3
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n/an/a 0.990n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528290
PNG
(CHEMBL4457819)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCCc3ccccc3)cc(OC)cc2o1
Show InChI InChI=1S/C22H19N3O4S/c1-26-15-10-18(28-9-8-14-6-4-3-5-7-14)16-12-20(29-19(16)11-15)17-13-25-21(23-17)30-22(24-25)27-2/h3-7,10-13H,8-9H2,1-2H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528296
PNG
(CHEMBL4461217)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(Oc4ccccc4)c3)cc(OC)cc2o1
Show InChI InChI=1S/C27H21N3O5S/c1-31-20-12-23(33-16-17-7-6-10-19(11-17)34-18-8-4-3-5-9-18)21-14-25(35-24(21)13-20)22-15-30-26(28-22)36-27(29-30)32-2/h3-15H,16H2,1-2H3
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n/an/a 1.20n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364613
PNG
(US9862730, Example 71)
Show SMILES COc1nn2cc(nc2s1)-c1cc2ccc(OC)cc2o1
Show InChI InChI=1S/C14H11N3O3S/c1-18-9-4-3-8-5-12(20-11(8)6-9)10-7-17-13(15-10)21-14(16-17)19-2/h3-7H,1-2H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528287
PNG
(CHEMBL4447049)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccc(OCc4ccccc4)cc3)cc(OC)cc2o1
Show InChI InChI=1S/C28H23N3O5S/c1-32-21-12-24(35-17-19-8-10-20(11-9-19)34-16-18-6-4-3-5-7-18)22-14-26(36-25(22)13-21)23-15-31-27(29-23)37-28(30-31)33-2/h3-15H,16-17H2,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528291
PNG
(CHEMBL4452111)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccccc3C)cc(OC)cc2o1
Show InChI InChI=1S/C22H19N3O4S/c1-13-6-4-5-7-14(13)12-28-18-8-15(26-2)9-19-16(18)10-20(29-19)17-11-25-21(23-17)30-22(24-25)27-3/h4-11H,12H2,1-3H3
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n/an/a 1.60n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528295
PNG
(CHEMBL4539616)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccc(OC)cc3)cc(OC)cc2o1
Show InChI InChI=1S/C22H19N3O5S/c1-26-14-6-4-13(5-7-14)12-29-18-8-15(27-2)9-19-16(18)10-20(30-19)17-11-25-21(23-17)31-22(24-25)28-3/h4-11H,12H2,1-3H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528282
PNG
(CHEMBL4580391)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCCOCc3ccccc3)cc(OC)cc2o1
Show InChI InChI=1S/C23H21N3O5S/c1-27-16-10-19(30-9-8-29-14-15-6-4-3-5-7-15)17-12-21(31-20(17)11-16)18-13-26-22(24-18)32-23(25-26)28-2/h3-7,10-13H,8-9,14H2,1-2H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528292
PNG
(CHEMBL4537548)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccccc3Cl)cc(OC)cc2o1
Show InChI InChI=1S/C21H16ClN3O4S/c1-26-13-7-17(28-11-12-5-3-4-6-15(12)22)14-9-19(29-18(14)8-13)16-10-25-20(23-16)30-21(24-25)27-2/h3-10H,11H2,1-2H3
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n/an/a 2.30n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528297
PNG
(CHEMBL4441723)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(CCc4ccccc4)c3)cc(OC)cc2o1
Show InChI InChI=1S/C29H25N3O4S/c1-33-22-14-25(35-18-21-10-6-9-20(13-21)12-11-19-7-4-3-5-8-19)23-16-27(36-26(23)15-22)24-17-32-28(30-24)37-29(31-32)34-2/h3-10,13-17H,11-12,18H2,1-2H3
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n/an/a 2.40n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364746
PNG
(6-(4-((3-(Benzyloxy)benzyl)oxy)-6-methoxybenzofura...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccccc4)c3)cc(OC)cc2o1
Show InChI InChI=1S/C28H23N3O5S/c1-32-21-12-24(35-17-19-9-6-10-20(11-19)34-16-18-7-4-3-5-8-18)22-14-26(36-25(22)13-21)23-15-31-27(29-23)37-28(30-31)33-2/h3-15H,16-17H2,1-2H3
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n/an/a 2.40n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364569
PNG
(2-Methoxy-6-(7-methoxybenzofuran-2-yl)imidazo[2,1-...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2cccc(OC)c2o1
Show InChI InChI=1S/C14H11N3O3S/c1-18-10-5-3-4-8-6-11(20-12(8)10)9-7-17-13(15-9)21-14(16-17)19-2/h3-7H,1-2H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528280
PNG
(CHEMBL4483493)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(O)c3)cc(OC)cc2o1
Show InChI InChI=1S/C21H17N3O5S/c1-26-14-7-17(28-11-12-4-3-5-13(25)6-12)15-9-19(29-18(15)8-14)16-10-24-20(22-16)30-21(23-24)27-2/h3-10,25H,11H2,1-2H3
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n/an/a 3.10n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528293
PNG
(CHEMBL4523001)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)C(F)(F)F)cc(OC)cc2o1
Show InChI InChI=1S/C22H16F3N3O4S/c1-29-14-7-17(31-11-12-4-3-5-13(6-12)22(23,24)25)15-9-19(32-18(15)8-14)16-10-28-20(26-16)33-21(27-28)30-2/h3-10H,11H2,1-2H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528279
PNG
(CHEMBL4528562)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccccc3OCc3ccccc3)cc(OC)cc2o1
Show InChI InChI=1S/C28H23N3O5S/c1-32-20-12-24(35-17-19-10-6-7-11-23(19)34-16-18-8-4-3-5-9-18)21-14-26(36-25(21)13-20)22-15-31-27(29-22)37-28(30-31)33-2/h3-15H,16-17H2,1-2H3
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n/an/a 3.20n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528298
PNG
(CHEMBL4465125)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(COc4ccccc4)c3)cc(OC)cc2o1
Show InChI InChI=1S/C28H23N3O5S/c1-32-21-12-24(35-17-19-8-6-7-18(11-19)16-34-20-9-4-3-5-10-20)22-14-26(36-25(22)13-21)23-15-31-27(29-23)37-28(30-31)33-2/h3-15H,16-17H2,1-2H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528284
PNG
(CHEMBL4474285)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(Cl)c3)cc(OC)cc2o1
Show InChI InChI=1S/C21H16ClN3O4S/c1-26-14-7-17(28-11-12-4-3-5-13(22)6-12)15-9-19(29-18(15)8-14)16-10-25-20(23-16)30-21(24-25)27-2/h3-10H,11H2,1-2H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528305
PNG
(CHEMBL4476101)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccccc3C(F)(F)F)cc(OC)cc2o1
Show InChI InChI=1S/C22H16F3N3O4S/c1-29-13-7-17(31-11-12-5-3-4-6-15(12)22(23,24)25)14-9-19(32-18(14)8-13)16-10-28-20(26-16)33-21(27-28)30-2/h3-10H,11H2,1-2H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50199438
PNG
(CHEMBL3931873)
Show SMILES COc1nn2cc(nc2s1)-c1cc2ccccc2o1
Show InChI InChI=1S/C13H9N3O2S/c1-17-13-15-16-7-9(14-12(16)19-13)11-6-8-4-2-3-5-10(8)18-11/h2-7H,1H3
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 1


(Homo sapiens (Human))
BDBM50263327
PNG
(CHEMBL476339 | N-(4-methylpyridin-2-yl)-4-(pyridin...)
Show SMILES Cc1ccnc(Nc2nc(cs2)-c2ccccn2)c1
Show InChI InChI=1S/C14H12N4S/c1-10-5-7-16-13(8-10)18-14-17-12(9-19-14)11-4-2-3-6-15-11/h2-9H,1H3,(H,16,17,18)
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Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.1 channel expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3


(Homo sapiens (Human))
BDBM50263327
PNG
(CHEMBL476339 | N-(4-methylpyridin-2-yl)-4-(pyridin...)
Show SMILES Cc1ccnc(Nc2nc(cs2)-c2ccccn2)c1
Show InChI InChI=1S/C14H12N4S/c1-10-5-7-16-13(8-10)18-14-17-12(9-19-14)11-4-2-3-6-15-11/h2-9H,1H3,(H,16,17,18)
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n/an/a 4n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]apamin from Kca2.3 channel expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364744
PNG
(6-(4-(Benzyloxy)-6-methoxybenzofuran-2-yl)-2-metho...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccccc3)cc(OC)cc2o1
Show InChI InChI=1S/C21H17N3O4S/c1-25-14-8-17(27-12-13-6-4-3-5-7-13)15-10-19(28-18(15)9-14)16-11-24-20(22-16)29-21(23-24)26-2/h3-11H,12H2,1-2H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528294
PNG
(CHEMBL4452516)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccc(cc3)C(F)(F)F)cc(OC)cc2o1
Show InChI InChI=1S/C22H16F3N3O4S/c1-29-14-7-17(31-11-12-3-5-13(6-4-12)22(23,24)25)15-9-19(32-18(15)8-14)16-10-28-20(26-16)33-21(27-28)30-2/h3-10H,11H2,1-2H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364571
PNG
(6-(4-Methoxybenzofuran-2-yl)-2-(methylthio)imidazo...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OC)cccc2o1
Show InChI InChI=1S/C14H11N3O3S/c1-18-10-4-3-5-11-8(10)6-12(20-11)9-7-17-13(15-9)21-14(16-17)19-2/h3-7H,1-2H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364746
PNG
(6-(4-((3-(Benzyloxy)benzyl)oxy)-6-methoxybenzofura...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccccc4)c3)cc(OC)cc2o1
Show InChI InChI=1S/C28H23N3O5S/c1-32-21-12-24(35-17-19-9-6-10-20(11-19)34-16-18-7-4-3-5-8-18)22-14-26(36-25(22)13-21)23-15-31-27(29-23)37-28(30-31)33-2/h3-15H,16-17H2,1-2H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human washed platelets assessed as inhibition of gamma-thrombin-induced platelet aggregation preincubated for 5 mins f...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528300
PNG
(CHEMBL4459685)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OC)c3)cc(OC)cc2o1
Show InChI InChI=1S/C22H19N3O5S/c1-26-14-6-4-5-13(7-14)12-29-18-8-15(27-2)9-19-16(18)10-20(30-19)17-11-25-21(23-17)31-22(24-25)28-3/h4-11H,12H2,1-3H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 2


(Homo sapiens (Human))
BDBM50263327
PNG
(CHEMBL476339 | N-(4-methylpyridin-2-yl)-4-(pyridin...)
Show SMILES Cc1ccnc(Nc2nc(cs2)-c2ccccn2)c1
Show InChI InChI=1S/C14H12N4S/c1-10-5-7-16-13(8-10)18-14-17-12(9-19-14)11-4-2-3-6-15-11/h2-9H,1H3,(H,16,17,18)
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Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.2 channel expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528283
PNG
(CHEMBL4454407)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccc(Cl)cc3)cc(OC)cc2o1
Show InChI InChI=1S/C21H16ClN3O4S/c1-26-14-7-17(28-11-12-3-5-13(22)6-4-12)15-9-19(29-18(15)8-14)16-10-25-20(23-16)30-21(24-25)27-2/h3-10H,11H2,1-2H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364565
PNG
(6-(Benzofuran-2-yl)-2-(methylthio)imidazo[2,1-b][1...)
Show SMILES CSc1nn2cc(nc2s1)-c1cc2ccccc2o1
Show InChI InChI=1S/C13H9N3OS2/c1-18-13-15-16-7-9(14-12(16)19-13)11-6-8-4-2-3-5-10(8)17-11/h2-7H,1H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364644
PNG
(US9862730, Example 103)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OC)ccc(OC)c2o1
Show InChI InChI=1S/C15H13N3O4S/c1-19-10-4-5-11(20-2)13-8(10)6-12(22-13)9-7-18-14(16-9)23-15(17-18)21-3/h4-7H,1-3H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528301
PNG
(CHEMBL4445561)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccccc3OC)cc(OC)cc2o1
Show InChI InChI=1S/C22H19N3O5S/c1-26-14-8-18(29-12-13-6-4-5-7-17(13)27-2)15-10-20(30-19(15)9-14)16-11-25-21(23-16)31-22(24-25)28-3/h4-11H,12H2,1-3H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364751
PNG
(6-(4-(Benzyloxy)benzofuran-2-yl)-2-methoxyimidazo[...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3ccccc3)cccc2o1
Show InChI InChI=1S/C20H15N3O3S/c1-24-20-22-23-11-15(21-19(23)27-20)18-10-14-16(8-5-9-17(14)26-18)25-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364746
PNG
(6-(4-((3-(Benzyloxy)benzyl)oxy)-6-methoxybenzofura...)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccccc4)c3)cc(OC)cc2o1
Show InChI InChI=1S/C28H23N3O5S/c1-32-21-12-24(35-17-19-9-6-10-20(11-19)34-16-18-7-4-3-5-8-18)22-14-26(36-25(22)13-21)23-15-31-27(29-23)37-28(30-31)33-2/h3-15H,16-17H2,1-2H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in human platelet rich plasma assessed as inhibition of gamma-thrombin-induced platelet aggregation preincubated for 5 mi...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3


(Homo sapiens (Human))
BDBM50264020
PNG
(CHEMBL489770 | GNF-PF-4773 | N-(4-(pyridin-2-yl)th...)
Show SMILES N(c1nc(cs1)-c1ccccn1)c1ccccn1
Show InChI InChI=1S/C13H10N4S/c1-3-7-14-10(5-1)11-9-18-13(16-11)17-12-6-2-4-8-15-12/h1-9H,(H,15,16,17)
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n/an/a 25n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]apamin from Kca2.3 channel expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364645
PNG
(US9862730, Example 104)
Show SMILES COc1nn2cc(nc2s1)-c1cc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C20H15N3O3S/c1-24-20-22-23-11-16(21-19(23)27-20)18-9-14-7-8-15(10-17(14)26-18)25-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528299
PNG
(CHEMBL4529377)
Show SMILES COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(CO)c3)cc(OC)cc2o1
Show InChI InChI=1S/C22H19N3O5S/c1-27-15-7-18(29-12-14-5-3-4-13(6-14)11-26)16-9-20(30-19(16)8-15)17-10-25-21(23-17)31-22(24-25)28-2/h3-10,26H,11-12H2,1-2H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364589
PNG
(US9862730, Example 41)
Show SMILES Cc1nn2cc(nc2s1)-c1cc2ccccc2o1
Show InChI InChI=1S/C13H9N3OS/c1-8-15-16-7-10(14-13(16)18-8)12-6-9-4-2-3-5-11(9)17-12/h2-7H,1H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM364594
PNG
(US9862730, Example 47)
Show SMILES CCc1nn2cc(nc2s1)-c1cc2ccccc2o1
Show InChI InChI=1S/C14H11N3OS/c1-2-13-16-17-8-10(15-14(17)19-13)12-7-9-5-3-4-6-11(9)18-12/h3-8H,2H2,1H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 1


(Homo sapiens (Human))
BDBM50264020
PNG
(CHEMBL489770 | GNF-PF-4773 | N-(4-(pyridin-2-yl)th...)
Show SMILES N(c1nc(cs1)-c1ccccn1)c1ccccn1
Show InChI InChI=1S/C13H10N4S/c1-3-7-14-10(5-1)11-9-18-13(16-11)17-12-6-2-4-8-15-12/h1-9H,(H,15,16,17)
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n/an/a 43n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.1 channel expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3


(Homo sapiens (Human))
BDBM50263327
PNG
(CHEMBL476339 | N-(4-methylpyridin-2-yl)-4-(pyridin...)
Show SMILES Cc1ccnc(Nc2nc(cs2)-c2ccccn2)c1
Show InChI InChI=1S/C14H12N4S/c1-10-5-7-16-13(8-10)18-14-17-12(9-19-14)11-4-2-3-6-15-11/h2-9H,1H3,(H,16,17,18)
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Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel expressed in HEK293 cells by electrophysiology assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3


(Homo sapiens (Human))
BDBM50263327
PNG
(CHEMBL476339 | N-(4-methylpyridin-2-yl)-4-(pyridin...)
Show SMILES Cc1ccnc(Nc2nc(cs2)-c2ccccn2)c1
Show InChI InChI=1S/C14H12N4S/c1-10-5-7-16-13(8-10)18-14-17-12(9-19-14)11-4-2-3-6-15-11/h2-9H,1H3,(H,16,17,18)
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Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 2


(Homo sapiens (Human))
BDBM50263327
PNG
(CHEMBL476339 | N-(4-methylpyridin-2-yl)-4-(pyridin...)
Show SMILES Cc1ccnc(Nc2nc(cs2)-c2ccccn2)c1
Show InChI InChI=1S/C14H12N4S/c1-10-5-7-16-13(8-10)18-14-17-12(9-19-14)11-4-2-3-6-15-11/h2-9H,1H3,(H,16,17,18)
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n/an/a 59n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]apamin from Kca2.2 channel expressed in HEK293 cells


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50528304
PNG
(CHEMBL3732510)
Show SMILES CCOc1nn2cc(nc2s1)-c1cc2ccccc2o1
Show InChI InChI=1S/C14H11N3O2S/c1-2-18-14-16-17-8-10(15-13(17)20-14)12-7-9-5-3-4-6-11(9)19-12/h3-8H,2H2,1H3
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Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Antagonist activity at full-length human PAR4 expressed in HEK293 cells assessed as inhibition of AYPGKF-induced intracellular calcium mobilization p...


J Med Chem 62: 7400-7416 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00186
BindingDB Entry DOI: 10.7270/Q2QC06ZZ
More data for this
Ligand-Target Pair
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