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Compile Data Set for Download or QSAR

Found 268 hits with Last Name = 'kiss' and Initial = 'l'   
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
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50001922
PNG
(2-Naphthalen-1-ylmethyl-4,5-dihydro-1H-imidazole; ...)
Show SMILES C(C1=NCCN1)c1cccc2ccccc12
Show InChI InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)
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PubMed
2.30n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097712
PNG
(CHEMBL3590203)
Show SMILES NCCc1ccccc1-c1cccc(c1)C#N
Show InChI InChI=1S/C37H50FN7O5S/c1-3-4-5-6-7-8-9-10-11-12-18-42(2)33(47)25-45-23-30(35(49)41-37(45)51-27-28-13-15-31(38)16-14-28)20-29-21-40-36(50)44(22-29)26-34(48)43-19-17-39-32(46)24-43/h13-16,21-23H,3-12,17-20,24-27H2,1-2H3,(H,39,46)
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12n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097711
PNG
(CHEMBL3588902)
Show SMILES Cc1ccccc1NCc1cnc[nH]1
Show InChI InChI=1S/C33H42FN7O5S/c1-3-4-5-6-7-8-14-38(2)29(43)21-41-19-26(31(45)37-33(41)47-23-24-9-11-27(34)12-10-24)16-25-17-36-32(46)40(18-25)22-30(44)39-15-13-35-28(42)20-39/h9-12,17-19H,3-8,13-16,20-23H2,1-2H3,(H,35,42)
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72n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50004923
PNG
((+/-)-SKF-38393 | 1-Phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES Oc1cc2CCNCC(c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
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83n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097721
PNG
(CHEMBL1879790)
Show SMILES CN1CCN(CC1)c1ccccc1N
Show InChI InChI=1S/C29H38FN5O3S/c1-4-6-7-8-9-10-15-33(3)26(36)20-35-19-24(16-23-17-31-28(38)34(5-2)18-23)27(37)32-29(35)39-21-22-11-13-25(30)14-12-22/h11-14,17-19H,4-10,15-16,20-21H2,1-3H3
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240n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097708
PNG
(CHEMBL3588903)
Show SMILES Cc1ccccc1NCc1ccncc1
Show InChI InChI=1S/C27H34FN5O3S/c1-3-4-5-6-7-8-13-32(2)24(34)18-33-17-22(14-21-15-29-26(36)30-16-21)25(35)31-27(33)37-19-20-9-11-23(28)12-10-20/h9-12,15-17H,3-8,13-14,18-19H2,1-2H3,(H,29,30,36)
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537n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097722
PNG
(CHEMBL129399)
Show SMILES CN1CCN(CC1)c1cccc(N)c1
Show InChI InChI=1S/C29H36FN5O5S/c1-3-4-5-6-7-8-13-33(2)25(36)18-35-17-23(14-22-15-31-28(40)34(16-22)19-26(37)38)27(39)32-29(35)41-20-21-9-11-24(30)12-10-21/h9-12,15-17H,3-8,13-14,18-20H2,1-2H3,(H,37,38)
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562n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50421231
PNG
(CHEMBL2087646)
Show SMILES NCCSc1nc2ccccc2o1
Show InChI InChI=1S/C9H10N2OS/c10-5-6-13-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6,10H2
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646n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097707
PNG
(CHEMBL3588904)
Show SMILES C(Nc1ccccc1-c1cccnc1)c1ccncc1
Show InChI InChI=1S/C31H42FN5O3S/c1-3-4-5-6-7-8-9-10-11-12-17-36(2)28(38)22-37-21-26(18-25-19-33-30(40)34-20-25)29(39)35-31(37)41-23-24-13-15-27(32)16-14-24/h13-16,19-21H,3-12,17-18,22-23H2,1-2H3,(H,33,34,40)
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1.07E+3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50307216
PNG
(1-(3-Bromobenzyl)-1H-imidazole | CHEMBL598391)
Show SMILES Brc1cccc(Cn2ccnc2)c1
Show InChI InChI=1S/C10H9BrN2/c11-10-3-1-2-9(6-10)7-13-5-4-12-8-13/h1-6,8H,7H2
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1.18E+3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50106345
PNG
(4-(4-Methyl-piperazin-1-yl)-phenylamine | CHEMBL34...)
Show SMILES CN1CCN(CC1)c1ccc(N)cc1
Show InChI InChI=1S/C11H17N3/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3
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1.51E+3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097719
PNG
(CHEMBL3588905)
Show SMILES C(NCc1cccnc1)c1c[nH]c(n1)-c1ccccc1
Show InChI InChI=1S/C34H40FN5O3S/c1-3-4-5-6-7-11-18-39(2)31(41)23-40-22-29(32(42)38-34(40)44-25-27-14-16-30(35)17-15-27)19-28-20-36-33(37-21-28)43-24-26-12-9-8-10-13-26/h8-10,12-17,20-22H,3-7,11,18-19,23-25H2,1-2H3
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5.25E+3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097718
PNG
(CHEMBL3588906)
Show SMILES CCNCC(=O)N1CCn2cccc2C1c1cccc(Cl)c1
Show InChI InChI=1S/C34H47FN6O4S/c1-4-5-6-7-8-9-10-11-12-13-18-39(3)31(43)24-41-22-28(19-27-20-37-33(45)40(21-27)23-30(42)36-2)32(44)38-34(41)46-25-26-14-16-29(35)17-15-26/h14-17,20-22H,4-13,18-19,23-25H2,1-3H3,(H,36,42)
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7.24E+3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097717
PNG
(CHEMBL3588907)
Show SMILES NCCCN(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H44FN5O3S/c1-4-5-6-7-8-9-10-11-12-13-18-36(2)29(39)23-38-22-27(19-26-20-34-31(41)37(3)21-26)30(40)35-32(38)42-24-25-14-16-28(33)17-15-25/h14-17,20-22H,4-13,18-19,23-24H2,1-3H3
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8.32E+3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097716
PNG
(CHEMBL3588908)
Show SMILES COc1ccccc1OCC1CNCCO1
Show InChI InChI=1S/C32H43FN6O4S/c1-4-6-7-8-9-10-16-37(3)29(41)22-39-20-26(30(42)36-32(39)44-23-24-11-13-27(33)14-12-24)17-25-18-35-31(43)38(19-25)21-28(40)34-15-5-2/h11-14,18-20H,4-10,15-17,21-23H2,1-3H3,(H,34,40)
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1.05E+4n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097720
PNG
(CHEMBL3588912)
Show SMILES COc1ccc(cc1)C1NCCCn2cccc12
Show InChI InChI=1S/C30H39FN6O4S/c1-4-5-6-7-8-9-14-35(3)27(39)20-37-18-24(15-23-16-33-29(41)36(17-23)19-26(38)32-2)28(40)34-30(37)42-21-22-10-12-25(31)13-11-22/h10-13,16-18H,4-9,14-15,19-21H2,1-3H3,(H,32,38)
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1.38E+4n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50051838
PNG
(CHEMBL1327)
Show SMILES OC(Cn1ccnc1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2
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1.51E+4n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097714
PNG
(CHEMBL3588910)
Show SMILES O=C(CCC1CCCC1)N1CCSC11CCNCC1
Show InChI InChI=1S/C28H36FN5O3S/c1-4-5-6-7-8-9-14-32(2)25(35)19-34-18-23(15-22-16-30-27(37)33(3)17-22)26(36)31-28(34)38-20-21-10-12-24(29)13-11-21/h10-13,16-18H,4-9,14-15,19-20H2,1-3H3
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1.55E+4n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097715
PNG
(CHEMBL3588909)
Show SMILES NCC(=O)Nc1ccccc1Oc1ccccc1
Show InChI InChI=1S/C31H41FN6O5S/c1-3-4-5-6-7-8-14-36(2)28(41)21-38-19-25(29(42)35-31(38)44-22-23-9-11-26(32)12-10-23)16-24-17-34-30(43)37(18-24)20-27(40)33-13-15-39/h9-12,17-19,39H,3-8,13-16,20-22H2,1-2H3,(H,33,40)
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1.55E+4n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50097713
PNG
(CHEMBL3588911)
Show SMILES CC(C)NCc1nccn1Cc1ccccc1C
Show InChI InChI=1S/C35H48FN5O5S/c1-4-6-7-8-9-10-11-12-13-14-19-39(3)31(42)24-41-23-29(20-28-21-37-34(45)40(22-28)25-32(43)46-5-2)33(44)38-35(41)47-26-27-15-17-30(36)18-16-27/h15-18,21-23H,4-14,19-20,24-26H2,1-3H3
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2.24E+4n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17217
PNG
(2,6-quinolinyl derivative, 39 | 2-[(2-chloro-4-met...)
Show SMILES CS(=O)(=O)c1ccc(C(=O)NC(Cc2ccc3nc(ccc3c2)-c2c(Cl)cccc2Cl)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C26H19Cl3N2O5S/c1-37(35,36)16-7-8-17(20(29)13-16)25(32)31-23(26(33)34)12-14-5-9-21-15(11-14)6-10-22(30-21)24-18(27)3-2-4-19(24)28/h2-11,13,23H,12H2,1H3,(H,31,32)(H,33,34)
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n/an/a 3.5n/an/an/an/a7.422



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Assay Description
The VLA-4 expressing U937 cells were plated in 96-well microtiter plates, precoated with soluble human recombinant VCAM-1, in the presence of test co...


Bioorg Med Chem Lett 17: 142-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.069
BindingDB Entry DOI: 10.7270/Q2W957FD
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17216
PNG
(2,6-quinolinyl derivative, 38 | 2-[(2-chloro-6-met...)
Show SMILES Cc1cccc(Cl)c1C(=O)NC(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1Cl)C(O)=O
Show InChI InChI=1S/C26H19Cl3N2O3/c1-14-4-2-5-17(27)23(14)25(32)31-22(26(33)34)13-15-8-10-20-16(12-15)9-11-21(30-20)24-18(28)6-3-7-19(24)29/h2-12,22H,13H2,1H3,(H,31,32)(H,33,34)
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n/an/a 3.90n/an/an/an/a7.422



UCB



Assay Description
The VLA-4 expressing U937 cells were plated in 96-well microtiter plates, precoated with soluble human recombinant VCAM-1, in the presence of test co...


Bioorg Med Chem Lett 17: 142-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.069
BindingDB Entry DOI: 10.7270/Q2W957FD
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17203
PNG
(2,6-quinolinyl derivative, 25 | 3-[2-(2-chloro-6-n...)
Show SMILES OC(=O)C(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1[N+]([O-])=O)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H16Cl3N3O5/c26-15-3-1-4-16(27)22(15)24(32)30-20(25(33)34)12-13-7-9-18-14(11-13)8-10-19(29-18)23-17(28)5-2-6-21(23)31(35)36/h1-11,20H,12H2,(H,30,32)(H,33,34)
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Assay Description
The VLA-4 expressing U937 cells were plated in 96-well microtiter plates, precoated with soluble human recombinant VCAM-1, in the presence of test co...


Bioorg Med Chem Lett 17: 142-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.069
BindingDB Entry DOI: 10.7270/Q2W957FD
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17220
PNG
(2,6-quinolinyl derivative, 42 | 2-{[1-(4-chlorophe...)
Show SMILES OC(=O)C(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1Cl)NC(=O)C1(CCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H25Cl3N2O3/c31-21-10-8-20(9-11-21)30(14-1-2-15-30)29(38)35-26(28(36)37)17-18-6-12-24-19(16-18)7-13-25(34-24)27-22(32)4-3-5-23(27)33/h3-13,16,26H,1-2,14-15,17H2,(H,35,38)(H,36,37)
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Assay Description
The VLA-4 expressing U937 cells were plated in 96-well microtiter plates, precoated with soluble human recombinant VCAM-1, in the presence of test co...


Bioorg Med Chem Lett 17: 142-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.069
BindingDB Entry DOI: 10.7270/Q2W957FD
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17207
PNG
(2,6-quinolinyl derivative, 29 | 2-[(2,6-dichloroph...)
Show SMILES COc1ccc2ccccc2c1-c1ccc2cc(CC(NC(=O)c3c(Cl)cccc3Cl)C(O)=O)ccc2n1
Show InChI InChI=1S/C30H22Cl2N2O4/c1-38-26-14-11-18-5-2-3-6-20(18)27(26)24-13-10-19-15-17(9-12-23(19)33-24)16-25(30(36)37)34-29(35)28-21(31)7-4-8-22(28)32/h2-15,25H,16H2,1H3,(H,34,35)(H,36,37)
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Assay Description
The VLA-4 expressing U937 cells were plated in 96-well microtiter plates, precoated with soluble human recombinant VCAM-1, in the presence of test co...


Bioorg Med Chem Lett 17: 142-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.069
BindingDB Entry DOI: 10.7270/Q2W957FD
More data for this
Ligand-Target Pair
p21-Activated kinase 1 (PAK1)


(Homo sapiens (Human))
BDBM50112347
PNG
(CHEMBL3609327 | FRAX597)
Show SMILES CCn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2cc(-c2ccc(cc2Cl)-c2cncs2)c1=O
Show InChI InChI=1S/C29H28ClN7OS/c1-3-37-27-20(14-24(28(37)38)23-9-4-19(15-25(23)30)26-17-31-18-39-26)16-32-29(34-27)33-21-5-7-22(8-6-21)36-12-10-35(2)11-13-36/h4-9,14-18H,3,10-13H2,1-2H3,(H,32,33,34)
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n/an/a 7.70n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
IC50 values were determined using a 10 concentration point, non-radioactive, functional assay that employs a fluorescence-based, coupled enzyme forma...


J Biol Chem 288: 29105-14 (2013)


Article DOI: 10.1074/jbc.M113.510933
BindingDB Entry DOI: 10.7270/Q2B27T4S
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17197
PNG
(2,6-quinolinyl derivative, 19 | 2-[(2,6-dichloroph...)
Show SMILES OC(=O)C(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1Cl)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H16Cl4N2O3/c26-15-3-1-4-16(27)22(15)20-10-8-14-11-13(7-9-19(14)30-20)12-21(25(33)34)31-24(32)23-17(28)5-2-6-18(23)29/h1-11,21H,12H2,(H,31,32)(H,33,34)
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Assay Description
The VLA-4 expressing U937 cells were plated in 96-well microtiter plates, precoated with soluble human recombinant VCAM-1, in the presence of test co...


Bioorg Med Chem Lett 17: 142-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.069
BindingDB Entry DOI: 10.7270/Q2W957FD
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17218
PNG
(2,6-quinolinyl derivative, 40 | 2-[(2,4-dichloro-6...)
Show SMILES Cc1cc(Cl)c(C(=O)NC(Cc2ccc3nc(ccc3c2)-c2c(Cl)cccc2Cl)C(O)=O)c(Cl)n1
Show InChI InChI=1S/C25H17Cl4N3O3/c1-12-9-17(28)22(23(29)30-12)24(33)32-20(25(34)35)11-13-5-7-18-14(10-13)6-8-19(31-18)21-15(26)3-2-4-16(21)27/h2-10,20H,11H2,1H3,(H,32,33)(H,34,35)
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Assay Description
The VLA-4 expressing U937 cells were plated in 96-well microtiter plates, precoated with soluble human recombinant VCAM-1, in the presence of test co...


Bioorg Med Chem Lett 17: 142-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.069
BindingDB Entry DOI: 10.7270/Q2W957FD
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17210
PNG
(2,6-quinolinyl derivative, 32 | 2-[(2,6-dichloroph...)
Show SMILES OC(=O)C(Cc1ccc2nc(ccc2c1)-c1cc(Cl)nc(Cl)c1)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C24H15Cl4N3O3/c25-15-2-1-3-16(26)22(15)23(32)30-19(24(33)34)9-12-4-6-17-13(8-12)5-7-18(29-17)14-10-20(27)31-21(28)11-14/h1-8,10-11,19H,9H2,(H,30,32)(H,33,34)
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n/an/a 8.60n/an/an/an/a7.422



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Assay Description
The VLA-4 expressing U937 cells were plated in 96-well microtiter plates, precoated with soluble human recombinant VCAM-1, in the presence of test co...


Bioorg Med Chem Lett 17: 142-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.069
BindingDB Entry DOI: 10.7270/Q2W957FD
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235240
PNG
(CHEMBL4065169)
Show SMILES CS(=O)(=O)Nc1cccc(n1)[C@@H](C(c1cccnc1)c1cccnc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H21FN4O2S/c1-32(30,31)29-22-8-2-7-21(28-22)24(17-9-11-20(25)12-10-17)23(18-5-3-13-26-15-18)19-6-4-14-27-16-19/h2-16,23-24H,1H3,(H,28,29)/t24-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro antagonistic activity towards LTB4 receptor was evaluated by inhibition of binding of [3H]LTB4 to human neutrophils


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235250
PNG
(CHEMBL4104525)
Show SMILES O[C@H](C(c1cccnc1)c1cccnc1)c1cccnc1-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C23H17Cl2N3O/c24-18-10-17(11-19(25)12-18)22-20(6-3-9-28-22)23(29)21(15-4-1-7-26-13-15)16-5-2-8-27-14-16/h1-14,21,23,29H/t23-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial myocytes by voltage-patch clamp electrophysiology method


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235240
PNG
(CHEMBL4065169)
Show SMILES CS(=O)(=O)Nc1cccc(n1)[C@@H](C(c1cccnc1)c1cccnc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H21FN4O2S/c1-32(30,31)29-22-8-2-7-21(28-22)24(17-9-11-20(25)12-10-17)23(18-5-3-13-26-15-18)19-6-4-14-27-16-19/h2-16,23-24H,1H3,(H,28,29)/t24-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial myocytes by voltage-patch clamp electrophysiology method


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
p21-Activated kinase 2 (PAK2)


(Homo sapiens (Human))
BDBM50112347
PNG
(CHEMBL3609327 | FRAX597)
Show SMILES CCn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2cc(-c2ccc(cc2Cl)-c2cncs2)c1=O
Show InChI InChI=1S/C29H28ClN7OS/c1-3-37-27-20(14-24(28(37)38)23-9-4-19(15-25(23)30)26-17-31-18-39-26)16-32-29(34-27)33-21-5-7-22(8-6-21)36-12-10-35(2)11-13-36/h4-9,14-18H,3,10-13H2,1-2H3,(H,32,33,34)
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n/an/a 12.8n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
IC50 values were determined using a 10 concentration point, non-radioactive, functional assay that employs a fluorescence-based, coupled enzyme forma...


J Biol Chem 288: 29105-14 (2013)


Article DOI: 10.1074/jbc.M113.510933
BindingDB Entry DOI: 10.7270/Q2B27T4S
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17221
PNG
(2,6-quinolinyl derivative, 43 | 2-{[(2S)-1-benzyl-...)
Show SMILES OC(=O)C(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1Cl)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1
Show InChI InChI=1S/C30H25Cl2N3O4/c31-21-7-4-8-22(32)28(21)24-12-10-20-15-19(9-11-23(20)33-24)16-25(30(38)39)34-29(37)26-13-14-27(36)35(26)17-18-5-2-1-3-6-18/h1-12,15,25-26H,13-14,16-17H2,(H,34,37)(H,38,39)/t25?,26-/m0/s1
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n/an/a 15.3n/an/an/an/a7.422



UCB



Assay Description
The VLA-4 expressing U937 cells were plated in 96-well microtiter plates, precoated with soluble human recombinant VCAM-1, in the presence of test co...


Bioorg Med Chem Lett 17: 142-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.069
BindingDB Entry DOI: 10.7270/Q2W957FD
More data for this
Ligand-Target Pair
p21-Activated kinase 3 (PAK3)


(Homo sapiens (Human))
BDBM50112347
PNG
(CHEMBL3609327 | FRAX597)
Show SMILES CCn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2cc(-c2ccc(cc2Cl)-c2cncs2)c1=O
Show InChI InChI=1S/C29H28ClN7OS/c1-3-37-27-20(14-24(28(37)38)23-9-4-19(15-25(23)30)26-17-31-18-39-26)16-32-29(34-27)33-21-5-7-22(8-6-21)36-12-10-35(2)11-13-36/h4-9,14-18H,3,10-13H2,1-2H3,(H,32,33,34)
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n/an/a 19.3n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
IC50 values were determined using a 10 concentration point, non-radioactive, functional assay that employs a fluorescence-based, coupled enzyme forma...


J Biol Chem 288: 29105-14 (2013)


Article DOI: 10.1074/jbc.M113.510933
BindingDB Entry DOI: 10.7270/Q2B27T4S
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17198
PNG
(2,6-quinolinyl derivative, 20 | 2-[(2,6-dichloroph...)
Show SMILES COc1cccc(OC)c1-c1ccc2cc(CC(NC(=O)c3c(Cl)cccc3Cl)C(O)=O)ccc2n1
Show InChI InChI=1S/C27H22Cl2N2O5/c1-35-22-7-4-8-23(36-2)25(22)20-12-10-16-13-15(9-11-19(16)30-20)14-21(27(33)34)31-26(32)24-17(28)5-3-6-18(24)29/h3-13,21H,14H2,1-2H3,(H,31,32)(H,33,34)
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Assay Description
The VLA-4 expressing U937 cells were plated in 96-well microtiter plates, precoated with soluble human recombinant VCAM-1, in the presence of test co...


Bioorg Med Chem Lett 17: 142-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.069
BindingDB Entry DOI: 10.7270/Q2W957FD
More data for this
Ligand-Target Pair
p21-Activated kinase 1 (PAK1)


(Homo sapiens (Human))
BDBM213235
PNG
(FRAX414)
Show SMILES CCn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2cc(-c2ccc(Cl)cc2Cl)c1=O
Show InChI InChI=1S/C26H26Cl2N6O/c1-3-34-24-17(14-22(25(34)35)21-9-4-18(27)15-23(21)28)16-29-26(31-24)30-19-5-7-20(8-6-19)33-12-10-32(2)11-13-33/h4-9,14-16H,3,10-13H2,1-2H3,(H,29,30,31)
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n/an/a 20n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
IC50 values were determined using a 10 concentration point, non-radioactive, functional assay that employs a fluorescence-based, coupled enzyme forma...


J Biol Chem 288: 29105-14 (2013)


Article DOI: 10.1074/jbc.M113.510933
BindingDB Entry DOI: 10.7270/Q2B27T4S
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17202
PNG
(2,6-quinolinyl derivative, 24 | 3-[2-(2-chloro-6-f...)
Show SMILES OC(=O)C(Cc1ccc2nc(ccc2c1)-c1c(F)cccc1Cl)NC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C25H16Cl3FN2O3/c26-15-3-1-4-16(27)22(15)24(32)31-21(25(33)34)12-13-7-9-19-14(11-13)8-10-20(30-19)23-17(28)5-2-6-18(23)29/h1-11,21H,12H2,(H,31,32)(H,33,34)
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Assay Description
The VLA-4 expressing U937 cells were plated in 96-well microtiter plates, precoated with soluble human recombinant VCAM-1, in the presence of test co...


Bioorg Med Chem Lett 17: 142-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.069
BindingDB Entry DOI: 10.7270/Q2W957FD
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235255
PNG
(CHEMBL4085436)
Show SMILES Clc1ccccc1-c1ncccc1CC(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C23H18ClN3/c24-22-10-2-1-9-20(22)23-17(6-5-13-27-23)14-21(18-7-3-11-25-15-18)19-8-4-12-26-16-19/h1-13,15-16,21H,14H2
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235259
PNG
(CHEMBL4105245)
Show SMILES Clc1ccccc1-c1ncccc1CC(c1cccnc1)c1cccnc1Cl
Show InChI InChI=1S/C23H17Cl2N3/c24-21-10-2-1-8-19(21)22-16(6-4-12-27-22)14-20(17-7-3-11-26-15-17)18-9-5-13-28-23(18)25/h1-13,15,20H,14H2
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235250
PNG
(CHEMBL4104525)
Show SMILES O[C@H](C(c1cccnc1)c1cccnc1)c1cccnc1-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C23H17Cl2N3O/c24-18-10-17(11-19(25)12-18)22-20(6-3-9-28-22)23(29)21(15-4-1-7-26-13-15)16-5-2-8-27-14-16/h1-14,21,23,29H/t23-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235275
PNG
(CHEMBL4062996)
Show SMILES Clc1cccc(c1)-c1ncccc1CC(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C23H18ClN3/c24-21-9-1-5-17(13-21)23-18(6-4-12-27-23)14-22(19-7-2-10-25-15-19)20-8-3-11-26-16-20/h1-13,15-16,22H,14H2
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for irreversible inhibitory activity against AdoMet-DC (S-adenosyl-methionine decarboxylase-) isolated from Escherichia coli


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50315563
PNG
(CHEMBL1088844 | {[(1S,2S,5R)-5-methyl-2-(propan-2-...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1P(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H29OP/c1-17(2)21-15-14-18(3)16-22(21)24(23,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21+,22+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay


Bioorg Med Chem Lett 20: 2493-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.005
BindingDB Entry DOI: 10.7270/Q2T153SV
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235253
PNG
(CHEMBL4075394)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1ncccc1CC(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C24H18F3N3O/c25-24(26,27)31-21-9-1-5-17(13-21)23-18(6-4-12-30-23)14-22(19-7-2-10-28-15-19)20-8-3-11-29-16-20/h1-13,15-16,22H,14H2
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n/an/a 33n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50194539
PNG
(4-(3-(2-fluorophenyl)propanamido)-N,N-diisopropyl-...)
Show SMILES CC(C)N(C(C)C)C(=O)C(C(CNC(=O)CCc1ccccc1F)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C30H36FN3O2/c1-21(2)34(22(3)4)30(36)29(25-14-10-18-32-19-25)26(23-11-6-5-7-12-23)20-33-28(35)17-16-24-13-8-9-15-27(24)31/h5-15,18-19,21-22,26,29H,16-17,20H2,1-4H3,(H,33,35)
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5


Bioorg Med Chem Lett 16: 5897-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.054
BindingDB Entry DOI: 10.7270/Q2Z60NP6
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17214
PNG
(2,6-quinolinyl derivative, 36 | 3-[2-(2,6-dichloro...)
Show SMILES Cc1cccc(C)c1C(=O)NC(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1Cl)C(O)=O
Show InChI InChI=1S/C27H22Cl2N2O3/c1-15-5-3-6-16(2)24(15)26(32)31-23(27(33)34)14-17-9-11-21-18(13-17)10-12-22(30-21)25-19(28)7-4-8-20(25)29/h3-13,23H,14H2,1-2H3,(H,31,32)(H,33,34)
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n/an/a 37.2n/an/an/an/a7.422



UCB



Assay Description
The VLA-4 expressing U937 cells were plated in 96-well microtiter plates, precoated with soluble human recombinant VCAM-1, in the presence of test co...


Bioorg Med Chem Lett 17: 142-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.069
BindingDB Entry DOI: 10.7270/Q2W957FD
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235254
PNG
(CHEMBL4095750)
Show SMILES COc1cccc(c1)-c1ncccc1CC(c1cccnc1)c1cccnc1
Show InChI InChI=1S/C24H21N3O/c1-28-22-10-2-6-18(14-22)24-19(7-5-13-27-24)15-23(20-8-3-11-25-16-20)21-9-4-12-26-17-21/h2-14,16-17,23H,15H2,1H3
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n/an/a 41n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17213
PNG
(2,6-quinolinyl derivative, 35 | 3-[2-(2,6-dichloro...)
Show SMILES COc1cccc(OC)c1C(=O)NC(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1Cl)C(O)=O
Show InChI InChI=1S/C27H22Cl2N2O5/c1-35-22-7-4-8-23(36-2)25(22)26(32)31-21(27(33)34)14-15-9-11-19-16(13-15)10-12-20(30-19)24-17(28)5-3-6-18(24)29/h3-13,21H,14H2,1-2H3,(H,31,32)(H,33,34)
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n/an/a 53.7n/an/an/an/a7.422



UCB



Assay Description
The VLA-4 expressing U937 cells were plated in 96-well microtiter plates, precoated with soluble human recombinant VCAM-1, in the presence of test co...


Bioorg Med Chem Lett 17: 142-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.069
BindingDB Entry DOI: 10.7270/Q2W957FD
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50235260
PNG
(CHEMBL4088894)
Show SMILES Nc1cccc(n1)C(Cc1cccnc1-c1cccc(c1)C(F)(F)F)c1cccnc1
Show InChI InChI=1S/C24H19F3N4/c25-24(26,27)19-8-1-5-16(13-19)23-17(6-4-12-30-23)14-20(18-7-3-11-29-15-18)21-9-2-10-22(28)31-21/h1-13,15,20H,14H2,(H2,28,31)
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n/an/a 56n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1062-1069 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50199068
PNG
(3-cyano-N-(2-hydroxyethyl)-6-methoxy-4-phenylisoqu...)
Show SMILES COc1ccc2c(nc(C#N)c(-c3ccccc3)c2c1)C(=O)NCCO
Show InChI InChI=1S/C20H17N3O3/c1-26-14-7-8-15-16(11-14)18(13-5-3-2-4-6-13)17(12-21)23-19(15)20(25)22-9-10-24/h2-8,11,24H,9-10H2,1H3,(H,22,25)
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n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 channel expressed in CHO cell membrane by HT clamp assay


J Med Chem 49: 6954-7 (2006)


Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7
More data for this
Ligand-Target Pair
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