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Compile Data Set for Download or QSAR

Found 777 hits with Last Name = 'rong' and Initial = 'y'   
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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50184539
PNG
((2S)-2-(6-butyl-2-(4-(4-(trifluoromethyl)phenyl)-1...)
Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H39F3N6O2/c1-5-7-9-23-17-26(36-24(16-20(3)4)27(39)33-14-8-15-40-6-2)37-28(35-23)38-18-25(34-19-38)21-10-12-22(13-11-21)29(30,31)32/h10-13,17-20,24H,5-9,14-16H2,1-4H3,(H,33,39)(H,35,36,37)/t24-/m0/s1
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14n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR2 receptor transfected in CHO cell


Bioorg Med Chem Lett 16: 2724-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.028
BindingDB Entry DOI: 10.7270/Q2KK9BBS
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50184530
PNG
((2S)-2-(6-butyl-2-(4-(4-(trifluoromethoxy)phenyl)-...)
Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H39F3N6O3/c1-5-7-9-22-17-26(36-24(16-20(3)4)27(39)33-14-8-15-40-6-2)37-28(35-22)38-18-25(34-19-38)21-10-12-23(13-11-21)41-29(30,31)32/h10-13,17-20,24H,5-9,14-16H2,1-4H3,(H,33,39)(H,35,36,37)/t24-/m0/s1
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17n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR2 receptor transfected in CHO cell


Bioorg Med Chem Lett 16: 2724-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.028
BindingDB Entry DOI: 10.7270/Q2KK9BBS
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270243
PNG
(CHEMBL525961 | TPRARRRKKRT)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C58H112N28O14/c1-30(77-44(90)35(16-8-24-72-54(62)63)84-51(97)40-21-13-29-86(40)52(98)41(61)31(2)87)43(89)78-36(17-9-25-73-55(64)65)47(93)81-38(19-11-27-75-57(68)69)49(95)82-37(18-10-26-74-56(66)67)48(94)80-33(14-4-6-22-59)45(91)79-34(15-5-7-23-60)46(92)83-39(20-12-28-76-58(70)71)50(96)85-42(32(3)88)53(99)100/h30-42,87-88H,4-29,59-61H2,1-3H3,(H,77,90)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,95)(H,83,92)(H,84,97)(H,85,96)(H,99,100)(H4,62,63,72)(H4,64,65,73)(H4,66,67,74)(H4,68,69,75)(H4,70,71,76)/t30-,31+,32+,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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23n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270054
PNG
(CHEMBL502642 | TPRARRRKKRT)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C58H113N29O13/c1-30(78-45(92)35(16-8-24-73-54(63)64)85-52(99)40-21-13-29-87(40)53(100)41(61)31(2)88)44(91)79-36(17-9-25-74-55(65)66)48(95)82-38(19-11-27-76-57(69)70)50(97)83-37(18-10-26-75-56(67)68)49(96)81-33(14-4-6-22-59)46(93)80-34(15-5-7-23-60)47(94)84-39(20-12-28-77-58(71)72)51(98)86-42(32(3)89)43(62)90/h30-42,88-89H,4-29,59-61H2,1-3H3,(H2,62,90)(H,78,92)(H,79,91)(H,80,93)(H,81,96)(H,82,95)(H,83,97)(H,84,94)(H,85,99)(H,86,98)(H4,63,64,73)(H4,65,66,74)(H4,67,68,75)(H4,69,70,76)(H4,71,72,77)/t30-,31+,32+,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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23n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50184531
PNG
((2S)-N-(3-ethoxypropyl)-4-methyl-2-(6-propyl-2-(4-...)
Show SMILES CCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C28H37F3N6O3/c1-5-8-21-16-25(35-23(15-19(3)4)26(38)32-13-7-14-39-6-2)36-27(34-21)37-17-24(33-18-37)20-9-11-22(12-10-20)40-28(29,30)31/h9-12,16-19,23H,5-8,13-15H2,1-4H3,(H,32,38)(H,34,35,36)/t23-/m0/s1
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25n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR2 receptor transfected in CHO cell


Bioorg Med Chem Lett 16: 2724-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.028
BindingDB Entry DOI: 10.7270/Q2KK9BBS
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50184518
PNG
((2S)-2-(6-butyl-2-(4-(4-chlorophenyl)-1H-imidazol-...)
Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H39ClN6O2/c1-5-7-9-23-17-26(33-24(16-20(3)4)27(36)30-14-8-15-37-6-2)34-28(32-23)35-18-25(31-19-35)21-10-12-22(29)13-11-21/h10-13,17-20,24H,5-9,14-16H2,1-4H3,(H,30,36)(H,32,33,34)/t24-/m0/s1
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27n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR2 receptor transfected in CHO cell


Bioorg Med Chem Lett 16: 2724-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.028
BindingDB Entry DOI: 10.7270/Q2KK9BBS
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50269901
PNG
(CHEMBL525748 | TPRARRRKKRI)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6@@H](-[#6])-[#8])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C60H117N29O12/c1-5-32(2)44(45(64)91)88-53(99)41(22-14-30-79-60(73)74)86-49(95)36(17-7-9-25-62)82-48(94)35(16-6-8-24-61)83-51(97)39(20-12-28-77-58(69)70)85-52(98)40(21-13-29-78-59(71)72)84-50(96)38(19-11-27-76-57(67)68)81-46(92)33(3)80-47(93)37(18-10-26-75-56(65)66)87-54(100)42-23-15-31-89(42)55(101)43(63)34(4)90/h32-44,90H,5-31,61-63H2,1-4H3,(H2,64,91)(H,80,93)(H,81,92)(H,82,94)(H,83,97)(H,84,96)(H,85,98)(H,86,95)(H,87,100)(H,88,99)(H4,65,66,75)(H4,67,68,76)(H4,69,70,77)(H4,71,72,78)(H4,73,74,79)/t32-,33-,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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30n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270237
PNG
(CHEMBL504578 | TPRARRRKKRI)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C60H116N28O13/c1-5-32(2)44(55(100)101)87-52(97)41(22-14-30-78-60(72)73)85-48(93)36(17-7-9-25-62)81-47(92)35(16-6-8-24-61)82-50(95)39(20-12-28-76-58(68)69)84-51(96)40(21-13-29-77-59(70)71)83-49(94)38(19-11-27-75-57(66)67)80-45(90)33(3)79-46(91)37(18-10-26-74-56(64)65)86-53(98)42-23-15-31-88(42)54(99)43(63)34(4)89/h32-44,89H,5-31,61-63H2,1-4H3,(H,79,91)(H,80,90)(H,81,92)(H,82,95)(H,83,94)(H,84,96)(H,85,93)(H,86,98)(H,87,97)(H,100,101)(H4,64,65,74)(H4,66,67,75)(H4,68,69,76)(H4,70,71,77)(H4,72,73,78)/t32-,33-,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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30n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50184527
PNG
((2S)-2-(6-butyl-2-(4-(4-hydroxyphenyl)-1H-imidazol...)
Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1ccc(O)cc1
Show InChI InChI=1S/C28H40N6O3/c1-5-7-9-22-17-26(32-24(16-20(3)4)27(36)29-14-8-15-37-6-2)33-28(31-22)34-18-25(30-19-34)21-10-12-23(35)13-11-21/h10-13,17-20,24,35H,5-9,14-16H2,1-4H3,(H,29,36)(H,31,32,33)/t24-/m0/s1
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32n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR2 receptor transfected in CHO cell


Bioorg Med Chem Lett 16: 2724-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.028
BindingDB Entry DOI: 10.7270/Q2KK9BBS
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM8443
PNG
(2-[(5Z)-5-({5-[2-chloro-5-(trifluoromethyl)phenyl]...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)C1=O
Show InChI InChI=1S/C17H9ClF3NO4S2/c18-11-3-1-8(17(19,20)21)5-10(11)12-4-2-9(26-12)6-13-15(25)22(7-14(23)24)16(27)28-13/h1-6H,7H2,(H,23,24)/b13-6-
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32n/an/an/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...


Proc Natl Acad Sci U S A 102: 9499-504 (2005)


Article DOI: 10.1073/pnas.0502733102
BindingDB Entry DOI: 10.7270/Q2TM78BQ
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270060
PNG
(CHEMBL455792 | TPQRARRRKKRT)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C63H120N30O16/c1-32(83-48(98)37(16-8-26-78-59(68)69)87-54(104)42(22-23-44(66)96)91-56(106)43-21-13-31-93(43)57(107)45(67)33(2)94)47(97)84-38(17-9-27-79-60(70)71)51(101)88-40(19-11-29-81-62(74)75)53(103)89-39(18-10-28-80-61(72)73)52(102)86-35(14-4-6-24-64)49(99)85-36(15-5-7-25-65)50(100)90-41(20-12-30-82-63(76)77)55(105)92-46(34(3)95)58(108)109/h32-43,45-46,94-95H,4-31,64-65,67H2,1-3H3,(H2,66,96)(H,83,98)(H,84,97)(H,85,99)(H,86,102)(H,87,104)(H,88,101)(H,89,103)(H,90,100)(H,91,106)(H,92,105)(H,108,109)(H4,68,69,78)(H4,70,71,79)(H4,72,73,80)(H4,74,75,81)(H4,76,77,82)/t32-,33+,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,45-,46-/m0/s1
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33n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270067
PNG
(CHEMBL503520 | TPQRARRRKKRW)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,wU:1.1,15.15,35.36,51.51,73.73,91.91,wD:3.3,11.12,24.24,40.40,62.62,82.82,102.102,(-7.97,-22.52,;-8.16,-20.99,;-9.59,-20.4,;-6.94,-20.06,;-7.13,-18.53,;-5.52,-20.65,;-4.3,-19.72,;-5.33,-22.18,;-6.46,-23.42,;-5.63,-24.89,;-3.98,-24.55,;-4.06,-23,;-2.73,-22.24,;-2.73,-20.7,;-1.4,-23,;-.07,-22.24,;-.07,-20.7,;1.27,-19.93,;1.27,-18.39,;-.06,-17.62,;2.6,-17.62,;1.26,-23.01,;1.26,-24.54,;2.59,-22.24,;3.93,-23,;3.93,-24.55,;5.26,-25.31,;5.26,-26.86,;6.59,-27.62,;6.59,-29.17,;5.25,-29.94,;7.92,-29.94,;5.26,-22.24,;5.26,-20.7,;6.59,-23.01,;7.93,-22.24,;7.93,-20.71,;9.26,-23.01,;9.26,-24.55,;10.59,-22.25,;11.93,-23.01,;11.93,-24.56,;13.26,-25.32,;13.26,-26.87,;14.59,-27.63,;14.59,-29.18,;13.25,-29.95,;15.92,-29.94,;13.26,-22.24,;13.26,-20.71,;14.59,-23.02,;15.92,-22.25,;15.92,-20.72,;17.26,-19.95,;17.26,-18.41,;18.59,-17.64,;18.59,-16.11,;17.27,-15.34,;19.93,-15.34,;17.26,-23.02,;17.26,-24.57,;18.59,-22.26,;19.92,-23.03,;19.92,-24.57,;21.25,-25.34,;21.25,-26.88,;22.58,-27.65,;22.58,-29.19,;21.25,-29.96,;23.91,-29.96,;21.25,-22.26,;21.25,-20.73,;22.59,-23.03,;23.92,-22.27,;23.92,-20.73,;25.26,-19.95,;25.26,-18.42,;26.59,-17.65,;26.59,-16.12,;25.26,-23.03,;25.26,-24.57,;26.58,-22.26,;27.92,-23.04,;27.92,-24.58,;29.25,-25.35,;29.25,-26.89,;30.57,-27.66,;30.57,-29.19,;29.25,-22.27,;29.25,-20.74,;30.58,-23.04,;31.91,-22.28,;31.91,-20.73,;33.25,-19.96,;33.25,-18.43,;34.58,-17.66,;34.58,-16.12,;33.26,-15.36,;35.92,-15.35,;33.25,-23.04,;33.25,-24.58,;34.57,-22.27,;35.91,-23.04,;35.91,-24.59,;37.24,-25.36,;38.65,-24.73,;39.68,-25.88,;38.9,-27.21,;39.38,-28.67,;38.34,-29.82,;36.84,-29.49,;36.37,-28.04,;37.4,-26.89,;37.24,-22.28,;38.57,-23.05,;37.24,-20.74,)|
Show InChI InChI=1S/C70H123N31O15/c1-37(91-55(105)44(19-9-29-85-66(75)76)95-62(112)49(25-26-52(73)103)99-63(113)51-24-14-34-101(51)64(114)53(74)38(2)102)54(104)92-45(20-10-30-86-67(77)78)58(108)96-47(22-12-32-88-69(81)82)60(110)97-46(21-11-31-87-68(79)80)59(109)94-42(17-5-7-27-71)56(106)93-43(18-6-8-28-72)57(107)98-48(23-13-33-89-70(83)84)61(111)100-50(65(115)116)35-39-36-90-41-16-4-3-15-40(39)41/h3-4,15-16,36-38,42-51,53,90,102H,5-14,17-35,71-72,74H2,1-2H3,(H2,73,103)(H,91,105)(H,92,104)(H,93,106)(H,94,109)(H,95,112)(H,96,108)(H,97,110)(H,98,107)(H,99,113)(H,100,111)(H,115,116)(H4,75,76,85)(H4,77,78,86)(H4,79,80,87)(H4,81,82,88)(H4,83,84,89)/t37-,38+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,53-/m0/s1
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34n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50184540
PNG
((2S)-N-(3-ethoxypropyl)-4-methyl-2-(6-propyl-2-(4-...)
Show SMILES CCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C28H37F3N6O3/c1-5-9-21-16-25(35-23(14-19(3)4)26(38)32-12-8-13-39-6-2)36-27(34-21)37-17-24(33-18-37)20-10-7-11-22(15-20)40-28(29,30)31/h7,10-11,15-19,23H,5-6,8-9,12-14H2,1-4H3,(H,32,38)(H,34,35,36)/t23-/m0/s1
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35n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR2 receptor transfected in CHO cell


Bioorg Med Chem Lett 16: 2724-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.028
BindingDB Entry DOI: 10.7270/Q2KK9BBS
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50184536
PNG
((2S)-2-(6-butyl-2-(4-(4-fluorophenyl)-1H-imidazol-...)
Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H39FN6O2/c1-5-7-9-23-17-26(33-24(16-20(3)4)27(36)30-14-8-15-37-6-2)34-28(32-23)35-18-25(31-19-35)21-10-12-22(29)13-11-21/h10-13,17-20,24H,5-9,14-16H2,1-4H3,(H,30,36)(H,32,33,34)/t24-/m0/s1
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37n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR2 receptor transfected in CHO cell


Bioorg Med Chem Lett 16: 2724-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.028
BindingDB Entry DOI: 10.7270/Q2KK9BBS
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270238
PNG
(CHEMBL451290 | TPRARRRKKRF)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C63H114N28O13/c1-35(82-49(94)40(20-10-28-77-59(67)68)89-56(101)46-25-15-33-91(46)57(102)47(66)36(2)92)48(93)83-41(21-11-29-78-60(69)70)52(97)86-43(23-13-31-80-62(73)74)54(99)87-42(22-12-30-79-61(71)72)53(98)85-38(18-6-8-26-64)50(95)84-39(19-7-9-27-65)51(96)88-44(24-14-32-81-63(75)76)55(100)90-45(58(103)104)34-37-16-4-3-5-17-37/h3-5,16-17,35-36,38-47,92H,6-15,18-34,64-66H2,1-2H3,(H,82,94)(H,83,93)(H,84,95)(H,85,98)(H,86,97)(H,87,99)(H,88,96)(H,89,101)(H,90,100)(H,103,104)(H4,67,68,77)(H4,69,70,78)(H4,71,72,79)(H4,73,74,80)(H4,75,76,81)/t35-,36+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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38n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50269903
PNG
(CHEMBL524695 | TPRARRRKKRF)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C63H115N29O12/c1-35(83-50(96)40(20-10-28-78-59(68)69)90-57(103)46-25-15-33-92(46)58(104)47(66)36(2)93)49(95)84-41(21-11-29-79-60(70)71)53(99)87-43(23-13-31-81-62(74)75)55(101)88-42(22-12-30-80-61(72)73)54(100)86-38(18-6-8-26-64)51(97)85-39(19-7-9-27-65)52(98)89-44(24-14-32-82-63(76)77)56(102)91-45(48(67)94)34-37-16-4-3-5-17-37/h3-5,16-17,35-36,38-47,93H,6-15,18-34,64-66H2,1-2H3,(H2,67,94)(H,83,96)(H,84,95)(H,85,97)(H,86,100)(H,87,99)(H,88,101)(H,89,98)(H,90,103)(H,91,102)(H4,68,69,78)(H4,70,71,79)(H4,72,73,80)(H4,74,75,81)(H4,76,77,82)/t35-,36+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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38n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270068
PNG
(CHEMBL500184 | TPQRARRRKKRF)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C68H122N30O15/c1-37(88-53(102)42(20-10-30-83-64(73)74)92-60(109)47(26-27-50(71)100)96-61(110)49-25-15-35-98(49)62(111)51(72)38(2)99)52(101)89-43(21-11-31-84-65(75)76)56(105)93-45(23-13-33-86-67(79)80)58(107)94-44(22-12-32-85-66(77)78)57(106)91-40(18-6-8-28-69)54(103)90-41(19-7-9-29-70)55(104)95-46(24-14-34-87-68(81)82)59(108)97-48(63(112)113)36-39-16-4-3-5-17-39/h3-5,16-17,37-38,40-49,51,99H,6-15,18-36,69-70,72H2,1-2H3,(H2,71,100)(H,88,102)(H,89,101)(H,90,103)(H,91,106)(H,92,109)(H,93,105)(H,94,107)(H,95,104)(H,96,110)(H,97,108)(H,112,113)(H4,73,74,83)(H4,75,76,84)(H4,77,78,85)(H4,79,80,86)(H4,81,82,87)/t37-,38+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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38n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270210
PNG
(CHEMBL526518 | GGGTPRARRRKKRT)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7])-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C64H121N31O17/c1-33(85-50(102)38(16-8-24-78-60(68)69)92-57(109)43-21-13-29-95(43)58(110)47(34(2)96)93-46(100)32-84-45(99)31-83-44(98)30-67)49(101)86-39(17-9-25-79-61(70)71)53(105)89-41(19-11-27-81-63(74)75)55(107)90-40(18-10-26-80-62(72)73)54(106)88-36(14-4-6-22-65)51(103)87-37(15-5-7-23-66)52(104)91-42(20-12-28-82-64(76)77)56(108)94-48(35(3)97)59(111)112/h33-43,47-48,96-97H,4-32,65-67H2,1-3H3,(H,83,98)(H,84,99)(H,85,102)(H,86,101)(H,87,103)(H,88,106)(H,89,105)(H,90,107)(H,91,104)(H,92,109)(H,93,100)(H,94,108)(H,111,112)(H4,68,69,78)(H4,70,71,79)(H4,72,73,80)(H4,74,75,81)(H4,76,77,82)/t33-,34+,35+,36-,37-,38-,39-,40-,41-,42-,43-,47-,48-/m0/s1
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39n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50184535
PNG
((2S)-2-(6-butyl-2-(4-p-tolyl-1H-imidazol-1-yl)pyri...)
Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1ccc(C)cc1
Show InChI InChI=1S/C29H42N6O2/c1-6-8-10-24-18-27(33-25(17-21(3)4)28(36)30-15-9-16-37-7-2)34-29(32-24)35-19-26(31-20-35)23-13-11-22(5)12-14-23/h11-14,18-21,25H,6-10,15-17H2,1-5H3,(H,30,36)(H,32,33,34)/t25-/m0/s1
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40n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR2 receptor transfected in CHO cell


Bioorg Med Chem Lett 16: 2724-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.028
BindingDB Entry DOI: 10.7270/Q2KK9BBS
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50184521
PNG
((2S)-2-(6-butyl-2-(4-(4-methoxyphenyl)-1H-imidazol...)
Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1ccc(OC)cc1
Show InChI InChI=1S/C29H42N6O3/c1-6-8-10-23-18-27(33-25(17-21(3)4)28(36)30-15-9-16-38-7-2)34-29(32-23)35-19-26(31-20-35)22-11-13-24(37-5)14-12-22/h11-14,18-21,25H,6-10,15-17H2,1-5H3,(H,30,36)(H,32,33,34)/t25-/m0/s1
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42n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR2 receptor transfected in CHO cell


Bioorg Med Chem Lett 16: 2724-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.028
BindingDB Entry DOI: 10.7270/Q2KK9BBS
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270215
PNG
(CHEMBL504271 | GGGTPRARRRKKRY)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C69H123N31O17/c1-37(90-55(107)43(15-7-27-83-65(73)74)97-62(114)49-20-12-32-100(49)63(115)53(38(2)101)99-52(105)36-89-51(104)35-88-50(103)34-72)54(106)91-44(16-8-28-84-66(75)76)58(110)94-46(18-10-30-86-68(79)80)60(112)95-45(17-9-29-85-67(77)78)59(111)93-41(13-3-5-25-70)56(108)92-42(14-4-6-26-71)57(109)96-47(19-11-31-87-69(81)82)61(113)98-48(64(116)117)33-39-21-23-40(102)24-22-39/h21-24,37-38,41-49,53,101-102H,3-20,25-36,70-72H2,1-2H3,(H,88,103)(H,89,104)(H,90,107)(H,91,106)(H,92,108)(H,93,111)(H,94,110)(H,95,112)(H,96,109)(H,97,114)(H,98,113)(H,99,105)(H,116,117)(H4,73,74,83)(H4,75,76,84)(H4,77,78,85)(H4,79,80,86)(H4,81,82,87)/t37-,38+,41-,42-,43-,44-,45-,46-,47-,48-,49-,53-/m0/s1
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42n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50184523
PNG
((2S)-2-(6-butyl-2-(4-(4-cyanophenyl)-1H-imidazol-1...)
Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C29H39N7O2/c1-5-7-9-24-17-27(34-25(16-21(3)4)28(37)31-14-8-15-38-6-2)35-29(33-24)36-19-26(32-20-36)23-12-10-22(18-30)11-13-23/h10-13,17,19-21,25H,5-9,14-16H2,1-4H3,(H,31,37)(H,33,34,35)/t25-/m0/s1
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43n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR2 receptor transfected in CHO cell


Bioorg Med Chem Lett 16: 2724-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.028
BindingDB Entry DOI: 10.7270/Q2KK9BBS
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50184517
PNG
((2S)-N-(3-ethoxypropyl)-4-methyl-2-(6-methyl-2-(4-...)
Show SMILES CCOCCCNC(=O)[C@H](CC(C)C)Nc1cc(C)nc(n1)-n1cnc(c1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H33F3N6O3/c1-5-37-12-6-11-30-24(36)21(13-17(2)3)33-23-14-18(4)32-25(34-23)35-15-22(31-16-35)19-7-9-20(10-8-19)38-26(27,28)29/h7-10,14-17,21H,5-6,11-13H2,1-4H3,(H,30,36)(H,32,33,34)/t21-/m0/s1
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44n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR2 receptor transfected in CHO cell


Bioorg Med Chem Lett 16: 2724-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.028
BindingDB Entry DOI: 10.7270/Q2KK9BBS
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270057
PNG
(CHEMBL526181 | TPRARRRKKRN)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C58H112N30O13/c1-30(79-45(93)34(15-7-23-74-54(64)65)86-52(100)40-20-12-28-88(40)53(101)42(62)31(2)89)44(92)80-35(16-8-24-75-55(66)67)48(96)83-37(18-10-26-77-57(70)71)50(98)84-36(17-9-25-76-56(68)69)49(97)82-32(13-3-5-21-59)46(94)81-33(14-4-6-22-60)47(95)85-38(19-11-27-78-58(72)73)51(99)87-39(43(63)91)29-41(61)90/h30-40,42,89H,3-29,59-60,62H2,1-2H3,(H2,61,90)(H2,63,91)(H,79,93)(H,80,92)(H,81,94)(H,82,97)(H,83,96)(H,84,98)(H,85,95)(H,86,100)(H,87,99)(H4,64,65,74)(H4,66,67,75)(H4,68,69,76)(H4,70,71,77)(H4,72,73,78)/t30-,31+,32-,33-,34-,35-,36-,37-,38-,39-,40-,42-/m0/s1
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45n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270246
PNG
(CHEMBL506161 | TPRARRRKKRN)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C58H111N29O14/c1-30(78-44(91)34(15-7-23-73-54(63)64)85-51(98)40-20-12-28-87(40)52(99)42(62)31(2)88)43(90)79-35(16-8-24-74-55(65)66)47(94)82-37(18-10-26-76-57(69)70)49(96)83-36(17-9-25-75-56(67)68)48(95)81-32(13-3-5-21-59)45(92)80-33(14-4-6-22-60)46(93)84-38(19-11-27-77-58(71)72)50(97)86-39(53(100)101)29-41(61)89/h30-40,42,88H,3-29,59-60,62H2,1-2H3,(H2,61,89)(H,78,91)(H,79,90)(H,80,92)(H,81,95)(H,82,94)(H,83,96)(H,84,93)(H,85,98)(H,86,97)(H,100,101)(H4,63,64,73)(H4,65,66,74)(H4,67,68,75)(H4,69,70,76)(H4,71,72,77)/t30-,31+,32-,33-,34-,35-,36-,37-,38-,39-,40-,42-/m0/s1
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45n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270213
PNG
(CHEMBL501270 | GGGGGGTPRARRRKKRF)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C75H132N34O19/c1-41(99-61(118)46(20-10-28-89-71(79)80)106-68(125)52-25-15-33-109(52)69(126)59(42(2)110)108-58(116)40-98-57(115)39-97-56(114)38-96-55(113)37-95-54(112)36-94-53(111)35-78)60(117)100-47(21-11-29-90-72(81)82)64(121)103-49(23-13-31-92-74(85)86)66(123)104-48(22-12-30-91-73(83)84)65(122)102-44(18-6-8-26-76)62(119)101-45(19-7-9-27-77)63(120)105-50(24-14-32-93-75(87)88)67(124)107-51(70(127)128)34-43-16-4-3-5-17-43/h3-5,16-17,41-42,44-52,59,110H,6-15,18-40,76-78H2,1-2H3,(H,94,111)(H,95,112)(H,96,113)(H,97,114)(H,98,115)(H,99,118)(H,100,117)(H,101,119)(H,102,122)(H,103,121)(H,104,123)(H,105,120)(H,106,125)(H,107,124)(H,108,116)(H,127,128)(H4,79,80,89)(H4,81,82,90)(H4,83,84,91)(H4,85,86,92)(H4,87,88,93)/t41-,42+,44-,45-,46-,47-,48-,49-,50-,51-,52-,59-/m0/s1
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45n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270247
PNG
(CHEMBL501011 | TPRARRRKKRQ)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C59H113N29O14/c1-31(79-45(92)35(15-7-25-74-55(64)65)86-52(99)41-20-12-30-88(41)53(100)43(63)32(2)89)44(91)80-36(16-8-26-75-56(66)67)48(95)83-38(18-10-28-77-58(70)71)50(97)84-37(17-9-27-76-57(68)69)49(96)82-33(13-3-5-23-60)46(93)81-34(14-4-6-24-61)47(94)85-39(19-11-29-78-59(72)73)51(98)87-40(54(101)102)21-22-42(62)90/h31-41,43,89H,3-30,60-61,63H2,1-2H3,(H2,62,90)(H,79,92)(H,80,91)(H,81,93)(H,82,96)(H,83,95)(H,84,97)(H,85,94)(H,86,99)(H,87,98)(H,101,102)(H4,64,65,74)(H4,66,67,75)(H4,68,69,76)(H4,70,71,77)(H4,72,73,78)/t31-,32+,33-,34-,35-,36-,37-,38-,39-,40-,41-,43-/m0/s1
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47n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270212
PNG
(CHEMBL509337 | GAGAGATPRARRRKKRT)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7])-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C73H136N34O20/c1-36(94-50(110)33-76)55(113)92-34-51(111)95-37(2)56(114)93-35-52(112)96-38(3)58(116)105-53(40(5)108)67(125)107-32-16-24-49(107)66(124)104-44(19-11-27-87-69(77)78)59(117)97-39(4)57(115)98-45(20-12-28-88-70(79)80)62(120)101-47(22-14-30-90-72(83)84)64(122)102-46(21-13-29-89-71(81)82)63(121)100-42(17-7-9-25-74)60(118)99-43(18-8-10-26-75)61(119)103-48(23-15-31-91-73(85)86)65(123)106-54(41(6)109)68(126)127/h36-49,53-54,108-109H,7-35,74-76H2,1-6H3,(H,92,113)(H,93,114)(H,94,110)(H,95,111)(H,96,112)(H,97,117)(H,98,115)(H,99,118)(H,100,121)(H,101,120)(H,102,122)(H,103,119)(H,104,124)(H,105,116)(H,106,123)(H,126,127)(H4,77,78,87)(H4,79,80,88)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)/t36-,37-,38-,39-,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,53-,54-/m0/s1
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47n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270058
PNG
(CHEMBL505833 | TPRARRRKKRQ)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C59H114N30O13/c1-31(80-46(94)36(15-7-25-75-55(65)66)88-53(101)41-20-12-30-89(41)54(102)43(63)32(2)90)45(93)82-37(16-8-26-76-56(67)68)50(98)86-40(19-11-29-79-59(73)74)52(100)87-39(18-10-28-78-58(71)72)51(99)84-34(13-3-5-23-60)48(96)83-35(14-4-6-24-61)49(97)85-38(17-9-27-77-57(69)70)47(95)81-33(44(64)92)21-22-42(62)91/h31-41,43,90H,3-30,60-61,63H2,1-2H3,(H2,62,91)(H2,64,92)(H,80,94)(H,81,95)(H,82,93)(H,83,96)(H,84,99)(H,85,97)(H,86,98)(H,87,100)(H,88,101)(H4,65,66,75)(H4,67,68,76)(H4,69,70,77)(H4,71,72,78)(H4,73,74,79)/t31-,32+,33-,34-,35-,36-,37-,38-,39-,40-,41-,43-/m0/s1
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47n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270069
PNG
(CHEMBL499438 | TPQRARRRKKRY)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C68H122N30O16/c1-36(88-53(103)42(15-7-29-83-64(73)74)92-60(110)47(25-26-50(71)101)96-61(111)49-20-12-34-98(49)62(112)51(72)37(2)99)52(102)89-43(16-8-30-84-65(75)76)56(106)93-45(18-10-32-86-67(79)80)58(108)94-44(17-9-31-85-66(77)78)57(107)91-40(13-3-5-27-69)54(104)90-41(14-4-6-28-70)55(105)95-46(19-11-33-87-68(81)82)59(109)97-48(63(113)114)35-38-21-23-39(100)24-22-38/h21-24,36-37,40-49,51,99-100H,3-20,25-35,69-70,72H2,1-2H3,(H2,71,101)(H,88,103)(H,89,102)(H,90,104)(H,91,107)(H,92,110)(H,93,106)(H,94,108)(H,95,105)(H,96,111)(H,97,109)(H,113,114)(H4,73,74,83)(H4,75,76,84)(H4,77,78,85)(H4,79,80,86)(H4,81,82,87)/t36-,37+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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47n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270153
PNG
(CHEMBL525632 | TPQRARRRKKRV)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C64H122N30O15/c1-33(2)47(59(108)109)93-56(105)42(21-13-31-83-64(77)78)91-51(100)37(16-6-8-26-66)86-50(99)36(15-5-7-25-65)87-53(102)40(19-11-29-81-62(73)74)90-54(103)41(20-12-30-82-63(75)76)89-52(101)39(18-10-28-80-61(71)72)85-48(97)34(3)84-49(98)38(17-9-27-79-60(69)70)88-55(104)43(23-24-45(67)96)92-57(106)44-22-14-32-94(44)58(107)46(68)35(4)95/h33-44,46-47,95H,5-32,65-66,68H2,1-4H3,(H2,67,96)(H,84,98)(H,85,97)(H,86,99)(H,87,102)(H,88,104)(H,89,101)(H,90,103)(H,91,100)(H,92,106)(H,93,105)(H,108,109)(H4,69,70,79)(H4,71,72,80)(H4,73,74,81)(H4,75,76,82)(H4,77,78,83)/t34-,35+,36-,37-,38-,39-,40-,41-,42-,43-,44-,46-,47-/m0/s1
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48n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50184537
PNG
((2S)-N-(3-ethoxypropyl)-4-methyl-2-(6-propyl-2-(4-...)
Show SMILES CCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cnc(c1)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C28H37F3N6O3/c1-5-10-20-16-25(35-22(15-19(3)4)26(38)32-13-9-14-39-6-2)36-27(34-20)37-17-23(33-18-37)21-11-7-8-12-24(21)40-28(29,30)31/h7-8,11-12,16-19,22H,5-6,9-10,13-15H2,1-4H3,(H,32,38)(H,34,35,36)/t22-/m0/s1
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50n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR2 receptor transfected in CHO cell


Bioorg Med Chem Lett 16: 2724-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.028
BindingDB Entry DOI: 10.7270/Q2KK9BBS
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270164
PNG
(CHEMBL500506 | TPQRARRRKKRD)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C63H118N30O17/c1-32(83-48(99)36(15-7-25-78-59(68)69)87-55(106)41(21-22-44(66)95)91-56(107)43-20-12-30-93(43)57(108)46(67)33(2)94)47(98)84-37(16-8-26-79-60(70)71)51(102)88-39(18-10-28-81-62(74)75)53(104)89-38(17-9-27-80-61(72)73)52(103)86-34(13-3-5-23-64)49(100)85-35(14-4-6-24-65)50(101)90-40(19-11-29-82-63(76)77)54(105)92-42(58(109)110)31-45(96)97/h32-43,46,94H,3-31,64-65,67H2,1-2H3,(H2,66,95)(H,83,99)(H,84,98)(H,85,100)(H,86,103)(H,87,106)(H,88,102)(H,89,104)(H,90,101)(H,91,107)(H,92,105)(H,96,97)(H,109,110)(H4,68,69,78)(H4,70,71,79)(H4,72,73,80)(H4,74,75,81)(H4,76,77,82)/t32-,33+,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,46-/m0/s1
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50n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270056
PNG
(CHEMBL2372270 | TPRARRRKKRY)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C63H115N29O13/c1-34(83-50(97)40(15-7-27-78-59(68)69)90-57(104)46-20-12-32-92(46)58(105)47(66)35(2)93)49(96)84-41(16-8-28-79-60(70)71)53(100)87-43(18-10-30-81-62(74)75)55(102)88-42(17-9-29-80-61(72)73)54(101)86-38(13-3-5-25-64)51(98)85-39(14-4-6-26-65)52(99)89-44(19-11-31-82-63(76)77)56(103)91-45(48(67)95)33-36-21-23-37(94)24-22-36/h21-24,34-35,38-47,93-94H,3-20,25-33,64-66H2,1-2H3,(H2,67,95)(H,83,97)(H,84,96)(H,85,98)(H,86,101)(H,87,100)(H,88,102)(H,89,99)(H,90,104)(H,91,103)(H4,68,69,78)(H4,70,71,79)(H4,72,73,80)(H4,74,75,81)(H4,76,77,82)/t34-,35+,38-,39-,40-,41-,42-,43-,44-,45?,46-,47-/m0/s1
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53n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270245
PNG
(CHEMBL448278 | TPRARRRKKRY)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C63H114N28O14/c1-34(82-49(95)40(15-7-27-77-59(67)68)89-56(102)46-20-12-32-91(46)57(103)47(66)35(2)92)48(94)83-41(16-8-28-78-60(69)70)52(98)86-43(18-10-30-80-62(73)74)54(100)87-42(17-9-29-79-61(71)72)53(99)85-38(13-3-5-25-64)50(96)84-39(14-4-6-26-65)51(97)88-44(19-11-31-81-63(75)76)55(101)90-45(58(104)105)33-36-21-23-37(93)24-22-36/h21-24,34-35,38-47,92-93H,3-20,25-33,64-66H2,1-2H3,(H,82,95)(H,83,94)(H,84,96)(H,85,99)(H,86,98)(H,87,100)(H,88,97)(H,89,102)(H,90,101)(H,104,105)(H4,67,68,77)(H4,69,70,78)(H4,71,72,79)(H4,73,74,80)(H4,75,76,81)/t34-,35+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
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53n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270216
PNG
(CHEMBL524356 | GGGGGGTPRARRRKKRY)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C75H132N34O20/c1-40(99-61(119)46(15-7-27-89-71(79)80)106-68(126)52-20-12-32-109(52)69(127)59(41(2)110)108-58(117)39-98-57(116)38-97-56(115)37-96-55(114)36-95-54(113)35-94-53(112)34-78)60(118)100-47(16-8-28-90-72(81)82)64(122)103-49(18-10-30-92-74(85)86)66(124)104-48(17-9-29-91-73(83)84)65(123)102-44(13-3-5-25-76)62(120)101-45(14-4-6-26-77)63(121)105-50(19-11-31-93-75(87)88)67(125)107-51(70(128)129)33-42-21-23-43(111)24-22-42/h21-24,40-41,44-52,59,110-111H,3-20,25-39,76-78H2,1-2H3,(H,94,112)(H,95,113)(H,96,114)(H,97,115)(H,98,116)(H,99,119)(H,100,118)(H,101,120)(H,102,123)(H,103,122)(H,104,124)(H,105,121)(H,106,126)(H,107,125)(H,108,117)(H,128,129)(H4,79,80,89)(H4,81,82,90)(H4,83,84,91)(H4,85,86,92)(H4,87,88,93)/t40-,41+,44-,45-,46-,47-,48-,49-,50-,51-,52-,59-/m0/s1
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54n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270059
PNG
(CHEMBL506175 | TPRARRRKKRD)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C58H111N29O14/c1-30(78-45(93)34(15-7-23-73-54(63)64)85-52(100)40-20-12-28-87(40)53(101)42(61)31(2)88)44(92)79-35(16-8-24-74-55(65)66)48(96)82-37(18-10-26-76-57(69)70)50(98)83-36(17-9-25-75-56(67)68)49(97)81-32(13-3-5-21-59)46(94)80-33(14-4-6-22-60)47(95)84-38(19-11-27-77-58(71)72)51(99)86-39(43(62)91)29-41(89)90/h30-40,42,88H,3-29,59-61H2,1-2H3,(H2,62,91)(H,78,93)(H,79,92)(H,80,94)(H,81,97)(H,82,96)(H,83,98)(H,84,95)(H,85,100)(H,86,99)(H,89,90)(H4,63,64,73)(H4,65,66,74)(H4,67,68,75)(H4,69,70,76)(H4,71,72,77)/t30-,31+,32-,33-,34-,35-,36-,37-,38-,39-,40-,42-/m0/s1
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56n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270248
PNG
(CHEMBL525574 | TPRARRRKKRD)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C58H110N28O15/c1-30(77-44(91)34(15-7-23-72-54(62)63)84-51(98)40-20-12-28-86(40)52(99)42(61)31(2)87)43(90)78-35(16-8-24-73-55(64)65)47(94)81-37(18-10-26-75-57(68)69)49(96)82-36(17-9-25-74-56(66)67)48(95)80-32(13-3-5-21-59)45(92)79-33(14-4-6-22-60)46(93)83-38(19-11-27-76-58(70)71)50(97)85-39(53(100)101)29-41(88)89/h30-40,42,87H,3-29,59-61H2,1-2H3,(H,77,91)(H,78,90)(H,79,92)(H,80,95)(H,81,94)(H,82,96)(H,83,93)(H,84,98)(H,85,97)(H,88,89)(H,100,101)(H4,62,63,72)(H4,64,65,73)(H4,66,67,74)(H4,68,69,75)(H4,70,71,76)/t30-,31+,32-,33-,34-,35-,36-,37-,38-,39-,40-,42-/m0/s1
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56n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270214
PNG
(CHEMBL524315 | GAGAGATPRARRRKKRF)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C78H138N34O19/c1-41(99-56(114)38-81)60(117)97-39-57(115)100-42(2)61(118)98-40-58(116)101-43(3)63(120)111-59(45(5)113)72(129)112-36-18-28-55(112)71(128)109-49(23-13-31-92-74(82)83)64(121)102-44(4)62(119)103-50(24-14-32-93-75(84)85)67(124)106-52(26-16-34-95-77(88)89)69(126)107-51(25-15-33-94-76(86)87)68(125)105-47(21-9-11-29-79)65(122)104-48(22-10-12-30-80)66(123)108-53(27-17-35-96-78(90)91)70(127)110-54(73(130)131)37-46-19-7-6-8-20-46/h6-8,19-20,41-45,47-55,59,113H,9-18,21-40,79-81H2,1-5H3,(H,97,117)(H,98,118)(H,99,114)(H,100,115)(H,101,116)(H,102,121)(H,103,119)(H,104,122)(H,105,125)(H,106,124)(H,107,126)(H,108,123)(H,109,128)(H,110,127)(H,111,120)(H,130,131)(H4,82,83,92)(H4,84,85,93)(H4,86,87,94)(H4,88,89,95)(H4,90,91,96)/t41-,42-,43-,44-,45+,47-,48-,49-,50-,51-,52-,53-,54-,55-,59-/m0/s1
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56n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50184516
PNG
((2S)-N-(3-ethoxypropyl)-2-(6-ethyl-2-(4-(4-(triflu...)
Show SMILES CCOCCCNC(=O)[C@H](CC(C)C)Nc1cc(CC)nc(n1)-n1cnc(c1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H35F3N6O3/c1-5-20-15-24(34-22(14-18(3)4)25(37)31-12-7-13-38-6-2)35-26(33-20)36-16-23(32-17-36)19-8-10-21(11-9-19)39-27(28,29)30/h8-11,15-18,22H,5-7,12-14H2,1-4H3,(H,31,37)(H,33,34,35)/t22-/m0/s1
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57n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR2 receptor transfected in CHO cell


Bioorg Med Chem Lett 16: 2724-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.028
BindingDB Entry DOI: 10.7270/Q2KK9BBS
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50269867
PNG
(CHEMBL499187 | TPRARRRKKRG)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C56H109N29O12/c1-30(77-44(90)35(16-8-24-72-53(63)64)84-50(96)39-20-12-28-85(39)51(97)41(60)31(2)86)42(88)78-36(17-9-25-73-54(65)66)47(93)82-38(19-11-27-75-56(69)70)49(95)83-37(18-10-26-74-55(67)68)48(94)81-34(14-4-6-22-58)46(92)80-33(13-3-5-21-57)45(91)79-32(15-7-23-71-52(61)62)43(89)76-29-40(59)87/h30-39,41,86H,3-29,57-58,60H2,1-2H3,(H2,59,87)(H,76,89)(H,77,90)(H,78,88)(H,79,91)(H,80,92)(H,81,94)(H,82,93)(H,83,95)(H,84,96)(H4,61,62,71)(H4,63,64,72)(H4,65,66,73)(H4,67,68,74)(H4,69,70,75)/t30-,31+,32-,33-,34-,35-,36-,37-,38-,39-,41-/m0/s1
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57n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270227
PNG
(CHEMBL509645 | TPRARRRKKRG)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O |r|
Show InChI InChI=1S/C56H108N28O13/c1-30(76-44(90)35(16-8-24-71-53(62)63)83-50(96)39-20-12-28-84(39)51(97)41(59)31(2)85)42(88)77-36(17-9-25-72-54(64)65)47(93)81-38(19-11-27-74-56(68)69)49(95)82-37(18-10-26-73-55(66)67)48(94)80-34(14-4-6-22-58)46(92)79-33(13-3-5-21-57)45(91)78-32(15-7-23-70-52(60)61)43(89)75-29-40(86)87/h30-39,41,85H,3-29,57-59H2,1-2H3,(H,75,89)(H,76,90)(H,77,88)(H,78,91)(H,79,92)(H,80,94)(H,81,93)(H,82,95)(H,83,96)(H,86,87)(H4,60,61,70)(H4,62,63,71)(H4,64,65,72)(H4,66,67,73)(H4,68,69,74)/t30-,31+,32-,33-,34-,35-,36-,37-,38-,39-,41-/m0/s1
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57n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270217
PNG
(CHEMBL524690 | GAGAGATPRARRRKKRY)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C78H138N34O20/c1-40(99-56(115)37-81)60(118)97-38-57(116)100-41(2)61(119)98-39-58(117)101-42(3)63(121)111-59(44(5)113)72(130)112-35-15-23-55(112)71(129)109-49(18-10-30-92-74(82)83)64(122)102-43(4)62(120)103-50(19-11-31-93-75(84)85)67(125)106-52(21-13-33-95-77(88)89)69(127)107-51(20-12-32-94-76(86)87)68(126)105-47(16-6-8-28-79)65(123)104-48(17-7-9-29-80)66(124)108-53(22-14-34-96-78(90)91)70(128)110-54(73(131)132)36-45-24-26-46(114)27-25-45/h24-27,40-44,47-55,59,113-114H,6-23,28-39,79-81H2,1-5H3,(H,97,118)(H,98,119)(H,99,115)(H,100,116)(H,101,117)(H,102,122)(H,103,120)(H,104,123)(H,105,126)(H,106,125)(H,107,127)(H,108,124)(H,109,129)(H,110,128)(H,111,121)(H,131,132)(H4,82,83,92)(H4,84,85,93)(H4,86,87,94)(H4,88,89,95)(H4,90,91,96)/t40-,41-,42-,43-,44+,47-,48-,49-,50-,51-,52-,53-,54-,55-,59-/m0/s1
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57n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270159
PNG
(CHEMBL504132 | TPQRARRRKKRM)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C64H122N30O15S/c1-34(84-49(98)38(16-8-27-79-60(69)70)88-56(105)43(22-23-46(67)96)92-57(106)45-21-13-32-94(45)58(107)47(68)35(2)95)48(97)85-39(17-9-28-80-61(71)72)52(101)89-41(19-11-30-82-63(75)76)54(103)90-40(18-10-29-81-62(73)74)53(102)87-36(14-4-6-25-65)50(99)86-37(15-5-7-26-66)51(100)91-42(20-12-31-83-64(77)78)55(104)93-44(59(108)109)24-33-110-3/h34-45,47,95H,4-33,65-66,68H2,1-3H3,(H2,67,96)(H,84,98)(H,85,97)(H,86,99)(H,87,102)(H,88,105)(H,89,101)(H,90,103)(H,91,100)(H,92,106)(H,93,104)(H,108,109)(H4,69,70,79)(H4,71,72,80)(H4,73,74,81)(H4,75,76,82)(H4,77,78,83)/t34-,35+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,47-/m0/s1
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58n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270240
PNG
(CHEMBL506239 | TPRARRRKKRW)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,wU:1.1,15.15,31.31,53.53,73.73,93.93,wD:3.3,11.12,26.27,42.42,64.64,82.82,(-8.66,-10.38,;-8.95,-8.88,;-10.41,-8.37,;-7.79,-7.86,;-8.09,-6.35,;-6.34,-8.37,;-5.18,-7.35,;-6.14,-9.89,;-7.26,-11.14,;-6.44,-12.59,;-4.79,-12.26,;-4.88,-10.71,;-3.55,-9.94,;-3.55,-8.4,;-2.21,-10.71,;-.88,-9.94,;-.88,-8.39,;.45,-7.63,;.45,-6.08,;1.77,-5.32,;1.77,-3.77,;.44,-3,;3.11,-3.01,;.45,-10.7,;.45,-12.24,;1.78,-9.93,;3.12,-10.7,;3.12,-12.23,;4.45,-9.93,;4.45,-8.38,;5.77,-10.69,;7.11,-9.92,;7.11,-8.39,;8.44,-7.62,;8.44,-6.08,;9.78,-5.31,;9.78,-3.76,;8.44,-2.99,;11.1,-3,;8.44,-10.7,;8.44,-12.23,;9.78,-9.92,;11.1,-10.69,;11.1,-12.22,;12.44,-12.99,;12.44,-14.53,;13.78,-15.3,;13.78,-16.84,;12.45,-17.61,;15.11,-17.6,;12.44,-9.92,;12.44,-8.37,;13.78,-10.68,;15.1,-9.91,;15.1,-8.38,;16.44,-7.6,;16.44,-6.07,;17.76,-5.3,;17.76,-3.76,;16.43,-2.98,;19.1,-2.99,;16.44,-10.68,;16.44,-12.22,;17.77,-9.92,;19.1,-10.68,;19.1,-12.22,;20.44,-12.99,;20.44,-14.53,;21.77,-15.3,;21.77,-16.83,;20.44,-9.91,;20.44,-8.37,;21.76,-10.68,;23.1,-9.91,;23.1,-8.37,;24.43,-7.6,;24.43,-6.06,;25.77,-5.29,;25.77,-3.75,;24.43,-10.68,;24.43,-12.21,;25.77,-9.91,;27.1,-10.67,;27.1,-12.21,;28.43,-12.98,;28.43,-14.52,;29.77,-15.29,;29.77,-16.82,;28.43,-17.59,;31.1,-17.59,;28.43,-9.9,;28.43,-8.36,;29.76,-10.68,;31.1,-9.9,;31.1,-8.36,;32.43,-7.59,;33.82,-8.2,;34.85,-7.07,;34.08,-5.73,;34.56,-4.27,;33.53,-3.13,;32.03,-3.45,;31.55,-4.92,;32.59,-6.05,;32.43,-10.67,;33.76,-9.9,;32.43,-12.2,)|
Show InChI InChI=1S/C65H115N29O13/c1-35(85-51(97)42(19-9-27-79-61(69)70)92-58(104)48-24-14-32-94(48)59(105)49(68)36(2)95)50(96)86-43(20-10-28-80-62(71)72)54(100)89-45(22-12-30-82-64(75)76)56(102)90-44(21-11-29-81-63(73)74)55(101)88-40(17-5-7-25-66)52(98)87-41(18-6-8-26-67)53(99)91-46(23-13-31-83-65(77)78)57(103)93-47(60(106)107)33-37-34-84-39-16-4-3-15-38(37)39/h3-4,15-16,34-36,40-49,84,95H,5-14,17-33,66-68H2,1-2H3,(H,85,97)(H,86,96)(H,87,98)(H,88,101)(H,89,100)(H,90,102)(H,91,99)(H,92,104)(H,93,103)(H,106,107)(H4,69,70,79)(H4,71,72,80)(H4,73,74,81)(H4,75,76,82)(H4,77,78,83)/t35-,36+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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59n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50269904
PNG
(CHEMBL527041 | TPRARRRKKRW)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:1.1,15.15,31.31,53.53,73.73,93.93,wD:3.3,11.12,26.27,42.42,64.64,82.82,(-6,-47.73,;-6.29,-46.22,;-7.75,-45.72,;-5.14,-45.22,;-5.43,-43.7,;-3.68,-45.71,;-2.52,-44.7,;-3.48,-47.24,;-4.6,-48.49,;-3.78,-49.94,;-2.13,-49.61,;-2.22,-48.06,;-.88,-47.29,;-.88,-45.75,;.45,-48.06,;1.78,-47.29,;1.78,-45.74,;3.11,-44.98,;3.11,-43.43,;4.44,-42.67,;4.44,-41.12,;3.1,-40.35,;5.76,-40.36,;3.11,-48.05,;3.11,-49.59,;4.45,-47.28,;5.77,-48.05,;5.77,-49.58,;7.11,-47.28,;7.11,-45.73,;8.44,-48.04,;9.77,-47.27,;9.77,-45.74,;11.1,-44.97,;11.1,-43.43,;12.44,-42.66,;12.44,-41.11,;11.1,-40.34,;13.76,-40.35,;11.1,-48.05,;11.1,-49.58,;12.44,-47.28,;13.77,-48.04,;13.77,-49.58,;15.1,-50.35,;15.1,-51.88,;16.44,-52.65,;16.44,-54.19,;15.11,-54.96,;17.78,-54.96,;15.1,-47.27,;15.1,-45.73,;16.44,-48.04,;17.77,-47.26,;17.77,-45.73,;19.1,-44.95,;19.1,-43.42,;20.43,-42.65,;20.43,-41.11,;19.09,-40.33,;21.77,-40.34,;19.1,-48.03,;19.1,-49.57,;20.44,-47.27,;21.77,-48.03,;21.77,-49.57,;23.1,-50.34,;23.1,-51.87,;24.44,-52.65,;24.44,-54.18,;23.1,-47.26,;23.1,-45.72,;24.43,-48.03,;25.77,-47.26,;25.77,-45.71,;27.1,-44.95,;27.1,-43.4,;28.43,-42.63,;28.43,-41.09,;27.1,-48.02,;27.1,-49.56,;28.43,-47.25,;29.77,-48.02,;29.77,-49.56,;31.1,-50.32,;31.1,-51.86,;32.43,-52.64,;32.43,-54.17,;31.11,-54.94,;33.77,-54.94,;31.1,-47.25,;31.1,-45.71,;32.43,-48.02,;33.77,-47.25,;33.77,-45.7,;35.1,-44.94,;36.5,-45.55,;37.53,-44.41,;36.75,-43.08,;37.23,-41.62,;36.2,-40.47,;34.69,-40.8,;34.22,-42.26,;35.26,-43.4,;35.1,-48.01,;36.43,-47.24,;35.1,-49.55,)|
Show InChI InChI=1S/C65H116N30O12/c1-35(86-52(99)42(19-9-27-80-61(70)71)93-59(106)48-24-14-32-95(48)60(107)49(68)36(2)96)51(98)87-43(20-10-28-81-62(72)73)55(102)90-45(22-12-30-83-64(76)77)57(104)91-44(21-11-29-82-63(74)75)56(103)89-40(17-5-7-25-66)53(100)88-41(18-6-8-26-67)54(101)92-46(23-13-31-84-65(78)79)58(105)94-47(50(69)97)33-37-34-85-39-16-4-3-15-38(37)39/h3-4,15-16,34-36,40-49,85,96H,5-14,17-33,66-68H2,1-2H3,(H2,69,97)(H,86,99)(H,87,98)(H,88,100)(H,89,103)(H,90,102)(H,91,104)(H,92,101)(H,93,106)(H,94,105)(H4,70,71,80)(H4,72,73,81)(H4,74,75,82)(H4,76,77,83)(H4,78,79,84)/t35-,36+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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59n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50184524
PNG
((2S)-2-(2-(1H-imidazol-1-yl)-6-(octylthio)pyrimidi...)
Show SMILES CCCCCCCCSc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1ccnc1
Show InChI InChI=1S/C26H44N6O2S/c1-5-7-8-9-10-11-17-35-24-19-23(30-26(31-24)32-15-14-27-20-32)29-22(18-21(3)4)25(33)28-13-12-16-34-6-2/h14-15,19-22H,5-13,16-18H2,1-4H3,(H,28,33)(H,29,30,31)/t22-/m0/s1
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60n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR2 receptor transfected in CHO cell


Bioorg Med Chem Lett 16: 2724-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.028
BindingDB Entry DOI: 10.7270/Q2KK9BBS
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270253
PNG
(CHEMBL454768 | TPRARRRKKR5)
Show SMILES [#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C58H112N28O13S/c1-31(77-44(89)35(16-8-24-72-54(62)63)84-51(96)41-21-13-29-86(41)52(97)42(61)32(2)87)43(88)78-36(17-9-25-73-55(64)65)47(92)81-38(19-11-27-75-57(68)69)49(94)82-37(18-10-26-74-56(66)67)48(93)80-33(14-4-6-22-59)45(90)79-34(15-5-7-23-60)46(91)83-39(20-12-28-76-58(70)71)50(95)85-40(30-100-3)53(98)99/h31-42,87H,4-30,59-61H2,1-3H3,(H,77,89)(H,78,88)(H,79,90)(H,80,93)(H,81,92)(H,82,94)(H,83,91)(H,84,96)(H,85,95)(H,98,99)(H4,62,63,72)(H4,64,65,73)(H4,66,67,74)(H4,68,69,75)(H4,70,71,76)/t31-,32+,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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65n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270065
PNG
(CHEMBL501797 | TPRARRRKKR5)
Show SMILES [#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6@@H](-[#6])-[#8])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C58H113N29O12S/c1-31(78-45(91)35(16-8-24-73-54(63)64)85-52(98)41-21-13-29-87(41)53(99)42(61)32(2)88)44(90)79-36(17-9-25-74-55(65)66)48(94)82-38(19-11-27-76-57(69)70)50(96)83-37(18-10-26-75-56(67)68)49(95)81-33(14-4-6-22-59)46(92)80-34(15-5-7-23-60)47(93)84-39(20-12-28-77-58(71)72)51(97)86-40(30-100-3)43(62)89/h31-42,88H,4-30,59-61H2,1-3H3,(H2,62,89)(H,78,91)(H,79,90)(H,80,92)(H,81,95)(H,82,94)(H,83,96)(H,84,93)(H,85,98)(H,86,97)(H4,63,64,73)(H4,65,66,74)(H4,67,68,75)(H4,69,70,76)(H4,71,72,77)/t31-,32+,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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65n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270211
PNG
(CHEMBL524837 | GGGGGGTPRARRRKKRT)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7])-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C70H130N34O20/c1-36(94-56(114)41(16-8-24-84-66(74)75)101-63(121)46-21-13-29-104(46)64(122)53(37(2)105)102-52(112)35-93-51(111)34-92-50(110)33-91-49(109)32-90-48(108)31-89-47(107)30-73)55(113)95-42(17-9-25-85-67(76)77)59(117)98-44(19-11-27-87-69(80)81)61(119)99-43(18-10-26-86-68(78)79)60(118)97-39(14-4-6-22-71)57(115)96-40(15-5-7-23-72)58(116)100-45(20-12-28-88-70(82)83)62(120)103-54(38(3)106)65(123)124/h36-46,53-54,105-106H,4-35,71-73H2,1-3H3,(H,89,107)(H,90,108)(H,91,109)(H,92,110)(H,93,111)(H,94,114)(H,95,113)(H,96,115)(H,97,118)(H,98,117)(H,99,119)(H,100,116)(H,101,121)(H,102,112)(H,103,120)(H,123,124)(H4,74,75,84)(H4,76,77,85)(H4,78,79,86)(H4,80,81,87)(H4,82,83,88)/t36-,37+,38+,39-,40-,41-,42-,43-,44-,45-,46-,53-,54-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
66n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin assessed as fluorescent Pyr-RTKR-AMC substrate cleavage


J Biol Chem 282: 20847-53 (2007)


Article DOI: 10.1074/jbc.M703847200
BindingDB Entry DOI: 10.7270/Q2057FPB
More data for this
Ligand-Target Pair
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