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94 similar compounds to monomer 50346874

Compile data set for download or QSAR
Wt: 1024.1
BDBM50139963
Wt: 1199.3
BDBM50242433
Wt: 1200.3
BDBM50242435
Wt: 1213.3
BDBM50242437
Wt: 1199.3
BDBM50242439
Wt: 1215.3
BDBM50242440
Wt: 1227.4
BDBM50242441
Wt: 1200.3
BDBM50242443
Wt: 1553.8
BDBM50270060
Wt: 1296.5
BDBM50270105
Wt: 1296.5
BDBM50270106
Wt: 1211.4
BDBM50270115
Wt: 1395.6
BDBM50270133
Wt: 1310.5
BDBM50270141
Wt: 1310.5
BDBM50270142
Displayed 1 to 15 (of 94 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50139963,50242433,50242435,50242437,50242439,50242440,50242441,50242443,50270060,50270105,50270106,50270115,50270133,50270141,50270142   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens (Human))
BDBM50270060
PNG
(CHEMBL455792 | TPQRARRRKKRT)
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]([C@@H](C)O)C(O)=O
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))
BDBM50270133
PNG
(CHEMBL498821 | TPRARRRKKRs)
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)CC(O)=O
Show InChI InChI=1S/C57H110N28O13/c1-31(76-44(90)35(16-8-24-71-53(61)62)82-50(96)40-21-13-29-85(40)52(98)42(60)32(2)86)43(89)77-36(17-9-25-72-54(63)64)46(92)80-38(19-11-27-74-56(67)68)48(94)81-37(18-10-26-73-55(65)66)47(93)78-33(14-4-6-22-58)45(91)79-34(15-5-7-23-59)49(95)83-39(20-12-28-75-57(69)70)51(97)84(3)30-41(87)88/h31-40,42,86H,4-30,58-60H2,1-3H3,(H,76,90)(H,77,89)(H,78,93)(H,79,91)(H,80,92)(H,81,94)(H,82,96)(H,83,95)(H,87,88)(H4,61,62,71)(H4,63,64,72)(H4,65,66,73)(H4,67,68,74)(H4,69,70,75)/t31-,32+,33-,34-,35-,36-,37-,38-,39-,40-,42-/m0/s1
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>100n/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))
BDBM50270106
PNG
(CHEMBL509545 | TPRAARRKKRG)
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](C)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)NCC(O)=O
Show InChI InChI=1S/C53H101N25O13/c1-28(71-43(85)34(16-9-23-66-51(59)60)77-48(90)37-19-12-26-78(37)49(91)39(56)30(3)79)40(82)70-29(2)41(83)72-35(17-10-24-67-52(61)62)46(88)76-36(18-11-25-68-53(63)64)47(89)75-33(14-5-7-21-55)45(87)74-32(13-4-6-20-54)44(86)73-31(15-8-22-65-50(57)58)42(84)69-27-38(80)81/h28-37,39,79H,4-27,54-56H2,1-3H3,(H,69,84)(H,70,82)(H,71,85)(H,72,83)(H,73,86)(H,74,87)(H,75,89)(H,76,88)(H,77,90)(H,80,81)(H4,57,58,65)(H4,59,60,66)(H4,61,62,67)(H4,63,64,68)/t28-,29-,30+,31-,32-,33-,34-,35-,36-,37-,39-/m0/s1
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>100n/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))
BDBM50270115
PNG
(CHEMBL500226 | TPAAARRKKRG)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)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](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(O)=O
Show InChI InChI=1S/C50H94N22O13/c1-26(64-39(77)27(2)66-46(84)35-18-12-24-72(35)47(85)37(53)29(4)73)38(76)65-28(3)40(78)67-33(16-10-22-61-49(56)57)44(82)71-34(17-11-23-62-50(58)59)45(83)70-32(14-6-8-20-52)43(81)69-31(13-5-7-19-51)42(80)68-30(15-9-21-60-48(54)55)41(79)63-25-36(74)75/h26-35,37,73H,5-25,51-53H2,1-4H3,(H,63,79)(H,64,77)(H,65,76)(H,66,84)(H,67,78)(H,68,80)(H,69,81)(H,70,83)(H,71,82)(H,74,75)(H4,54,55,60)(H4,56,57,61)(H4,58,59,62)/t26-,27-,28-,29+,30-,31-,32-,33-,34-,35-,37-/m0/s1
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>100n/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))
BDBM50270142
PNG
(CHEMBL500991 | TPRAARRKKRs)
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](C)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)CC(O)=O
Show InChI InChI=1S/C54H103N25O13/c1-29(71-43(85)34(16-9-23-66-51(58)59)76-48(90)38-20-13-27-79(38)50(92)40(57)31(3)80)41(83)70-30(2)42(84)72-35(17-10-24-67-52(60)61)45(87)75-36(18-11-25-68-53(62)63)46(88)73-32(14-5-7-21-55)44(86)74-33(15-6-8-22-56)47(89)77-37(19-12-26-69-54(64)65)49(91)78(4)28-39(81)82/h29-38,40,80H,5-28,55-57H2,1-4H3,(H,70,83)(H,71,85)(H,72,84)(H,73,88)(H,74,86)(H,75,87)(H,76,90)(H,77,89)(H,81,82)(H4,58,59,66)(H4,60,61,67)(H4,62,63,68)(H4,64,65,69)/t29-,30-,31+,32-,33-,34-,35-,36-,37-,38-,40-/m0/s1
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>100n/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))
BDBM50270105
PNG
(CHEMBL508462 | TPAARRRKKRG)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)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)NCC(O)=O
Show InChI InChI=1S/C53H101N25O13/c1-28(71-48(90)37-19-12-26-78(37)49(91)39(56)30(3)79)40(82)70-29(2)41(83)72-34(16-9-23-66-51(59)60)45(87)76-36(18-11-25-68-53(63)64)47(89)77-35(17-10-24-67-52(61)62)46(88)75-33(14-5-7-21-55)44(86)74-32(13-4-6-20-54)43(85)73-31(15-8-22-65-50(57)58)42(84)69-27-38(80)81/h28-37,39,79H,4-27,54-56H2,1-3H3,(H,69,84)(H,70,82)(H,71,90)(H,72,83)(H,73,85)(H,74,86)(H,75,88)(H,76,87)(H,77,89)(H,80,81)(H4,57,58,65)(H4,59,60,66)(H4,61,62,67)(H4,63,64,68)/t28-,29-,30+,31-,32-,33-,34-,35-,36-,37-,39-/m0/s1
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>100n/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))
BDBM50270141
PNG
(CHEMBL525940 | TPAARRRKKRs)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)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)CC(O)=O
Show InChI InChI=1S/C54H103N25O13/c1-29(71-48(90)38-20-13-27-79(38)50(92)40(57)31(3)80)41(83)70-30(2)42(84)72-34(16-9-23-66-51(58)59)44(86)75-36(18-11-25-68-53(62)63)46(88)76-35(17-10-24-67-52(60)61)45(87)73-32(14-5-7-21-55)43(85)74-33(15-6-8-22-56)47(89)77-37(19-12-26-69-54(64)65)49(91)78(4)28-39(81)82/h29-38,40,80H,5-28,55-57H2,1-4H3,(H,70,83)(H,71,90)(H,72,84)(H,73,87)(H,74,85)(H,75,86)(H,76,88)(H,77,89)(H,81,82)(H4,58,59,66)(H4,60,61,67)(H4,62,63,68)(H4,64,65,69)/t29-,30-,31+,32-,33-,34-,35-,36-,37-,38-,40-/m0/s1
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>100n/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
Subtilisin/kexin type 5


(Homo sapiens (Human))
BDBM50270060
PNG
(CHEMBL455792 | TPQRARRRKKRT)
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]([C@@H](C)O)C(O)=O
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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188n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PC5/6 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
Subtilisin/kexin type 7


(Homo sapiens (Human))
BDBM50270060
PNG
(CHEMBL455792 | TPQRARRRKKRT)
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]([C@@H](C)O)C(O)=O
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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206n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PC7 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
Proprotein convertase subtilisin/kexin type 6


(Rattus norvegicus)
BDBM50270060
PNG
(CHEMBL455792 | TPQRARRRKKRT)
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]([C@@H](C)O)C(O)=O
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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296n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of rat PACE4 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
Subtilisin/kexin type 4


(Homo sapiens (Human))
BDBM50270060
PNG
(CHEMBL455792 | TPQRARRRKKRT)
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]([C@@H](C)O)C(O)=O
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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515n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PC4 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
NAD-dependent deacetylase HST2


(Saccharomyces cerevisiae)
BDBM50242437
PNG
((2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-{...)
Show SMILES CCC(=O)NCCCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C51H92N18O16/c1-4-38(73)58-22-10-7-15-31(63-40(75)26-60-39(74)25-61-48(82)41(29(3)71)68-46(80)35(27-70)67-42(76)30(54)13-5-8-20-52)43(77)62-28(2)49(83)69-24-12-17-36(69)47(81)65-33(16-11-23-59-51(56)57)44(78)64-32(14-6-9-21-53)45(79)66-34(50(84)85)18-19-37(55)72/h28-36,41,70-71H,4-27,52-54H2,1-3H3,(H2,55,72)(H,58,73)(H,60,74)(H,61,82)(H,62,77)(H,63,75)(H,64,78)(H,65,81)(H,66,79)(H,67,76)(H,68,80)(H,84,85)(H4,56,57,59)/t28-,29+,30-,31-,32-,33-,34-,35-,36-,41-/m0/s1
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n/an/an/a 8.60E+3n/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to Saccharomyces cerevisiae Hst2 by isothermal titration calorimetry


J Biol Chem 282: 37256-65 (2007)


Article DOI: 10.1074/jbc.M707878200
BindingDB Entry DOI: 10.7270/Q2H132W7
More data for this
Ligand-Target Pair
NAD-dependent deacetylase HST2


(Saccharomyces cerevisiae)
BDBM50242439
PNG
((1-{[(5S)-5-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-5-ami...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(C)=[NH2+])C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C50H91N19O15/c1-27(48(82)69-23-11-16-36(69)46(80)65-33(15-10-22-59-50(56)57)43(77)64-32(13-5-8-20-52)44(78)66-34(49(83)84)17-18-37(55)72)62-42(76)31(14-6-9-21-58-29(3)53)63-39(74)25-60-38(73)24-61-47(81)40(28(2)71)68-45(79)35(26-70)67-41(75)30(54)12-4-7-19-51/h27-28,30-36,40,70-71H,4-26,51-52,54H2,1-3H3,(H2,53,58)(H2,55,72)(H,60,73)(H,61,81)(H,62,76)(H,63,74)(H,64,77)(H,65,80)(H,66,78)(H,67,75)(H,68,79)(H,83,84)(H4,56,57,59)/p+1/t27-,28+,30-,31-,32-,33-,34-,35-,36-,40-/m0/s1
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n/an/an/a 3.30E+3n/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to Saccharomyces cerevisiae Hst2 by isothermal titration calorimetry


J Biol Chem 282: 37256-65 (2007)


Article DOI: 10.1074/jbc.M707878200
BindingDB Entry DOI: 10.7270/Q2H132W7
More data for this
Ligand-Target Pair
NAD-dependent deacetylase HST2


(Saccharomyces cerevisiae)
BDBM50242440
PNG
((2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-{...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C50H90N18O17/c1-27(48(83)68-22-10-15-35(68)46(81)64-32(14-9-21-58-50(55)56)43(78)63-31(12-4-7-19-52)44(79)65-33(49(84)85)16-17-36(54)72)61-42(77)30(13-5-8-20-57-39(75)26-70)62-38(74)24-59-37(73)23-60-47(82)40(28(2)71)67-45(80)34(25-69)66-41(76)29(53)11-3-6-18-51/h27-35,40,69-71H,3-26,51-53H2,1-2H3,(H2,54,72)(H,57,75)(H,59,73)(H,60,82)(H,61,77)(H,62,74)(H,63,78)(H,64,81)(H,65,79)(H,66,76)(H,67,80)(H,84,85)(H4,55,56,58)/t27-,28+,29-,30-,31-,32-,33-,34-,35-,40-/m0/s1
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n/an/an/a 3.30E+3n/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to Saccharomyces cerevisiae Hst2 by isothermal titration calorimetry


J Biol Chem 282: 37256-65 (2007)


Article DOI: 10.1074/jbc.M707878200
BindingDB Entry DOI: 10.7270/Q2H132W7
More data for this
Ligand-Target Pair
NAD-dependent deacetylase HST2


(Saccharomyces cerevisiae)
BDBM50242441
PNG
((2S)-2-[(2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(...)
Show SMILES CCCC(=O)NCCCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C52H94N18O16/c1-4-13-39(74)59-23-10-7-16-32(64-41(76)27-61-40(75)26-62-49(83)42(30(3)72)69-47(81)36(28-71)68-43(77)31(55)14-5-8-21-53)44(78)63-29(2)50(84)70-25-12-18-37(70)48(82)66-34(17-11-24-60-52(57)58)45(79)65-33(15-6-9-22-54)46(80)67-35(51(85)86)19-20-38(56)73/h29-37,42,71-72H,4-28,53-55H2,1-3H3,(H2,56,73)(H,59,74)(H,61,75)(H,62,83)(H,63,78)(H,64,76)(H,65,79)(H,66,82)(H,67,80)(H,68,77)(H,69,81)(H,85,86)(H4,57,58,60)/t29-,30+,31-,32-,33-,34-,35-,36-,37-,42-/m0/s1
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n/an/an/a 1.60E+4n/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to Saccharomyces cerevisiae Hst2 by isothermal titration calorimetry


J Biol Chem 282: 37256-65 (2007)


Article DOI: 10.1074/jbc.M707878200
BindingDB Entry DOI: 10.7270/Q2H132W7
More data for this
Ligand-Target Pair
NAD-dependent deacetylase HST2


(Saccharomyces cerevisiae)
BDBM50242443
PNG
(CID44560107 | [amino({[(5S)-5-{[(2S)-1-[(2S)-2-{[(...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(N)=[NH2+])C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C49H90N20O15/c1-26(46(82)69-22-10-15-34(69)44(80)65-31(14-9-21-59-49(56)57)41(77)64-30(12-4-7-19-51)42(78)66-32(47(83)84)16-17-35(53)72)62-40(76)29(13-5-8-20-58-48(54)55)63-37(74)24-60-36(73)23-61-45(81)38(27(2)71)68-43(79)33(25-70)67-39(75)28(52)11-3-6-18-50/h26-34,38,70-71H,3-25,50-52H2,1-2H3,(H2,53,72)(H,60,73)(H,61,81)(H,62,76)(H,63,74)(H,64,77)(H,65,80)(H,66,78)(H,67,75)(H,68,79)(H,83,84)(H4,54,55,58)(H4,56,57,59)/p+1/t26-,27+,28-,29-,30-,31-,32-,33-,34-,38-/m0/s1
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n/an/an/a 3.30E+3n/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to Saccharomyces cerevisiae Hst2 by isothermal titration calorimetry


J Biol Chem 282: 37256-65 (2007)


Article DOI: 10.1074/jbc.M707878200
BindingDB Entry DOI: 10.7270/Q2H132W7
More data for this
Ligand-Target Pair
NAD-dependent deacetylase HST2


(Saccharomyces cerevisiae)
BDBM50242433
PNG
((2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-{...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C50H90N18O16/c1-27(48(82)68-23-11-16-36(68)46(80)64-33(15-10-22-58-50(55)56)43(77)63-32(13-5-8-20-52)44(78)65-34(49(83)84)17-18-37(54)72)61-42(76)31(14-6-9-21-57-29(3)71)62-39(74)25-59-38(73)24-60-47(81)40(28(2)70)67-45(79)35(26-69)66-41(75)30(53)12-4-7-19-51/h27-28,30-36,40,69-70H,4-26,51-53H2,1-3H3,(H2,54,72)(H,57,71)(H,59,73)(H,60,81)(H,61,76)(H,62,74)(H,63,77)(H,64,80)(H,65,78)(H,66,75)(H,67,79)(H,83,84)(H4,55,56,58)/t27-,28+,30-,31-,32-,33-,34-,35-,36-,40-/m0/s1
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n/an/an/a 2.10E+4n/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to Saccharomyces cerevisiae Hst2 by isothermal titration calorimetry


J Biol Chem 282: 37256-65 (2007)


Article DOI: 10.1074/jbc.M707878200
BindingDB Entry DOI: 10.7270/Q2H132W7
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50139963
PNG
(CHEMBL386724 | R-S-G-P-P-G-L-Q-G-R)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C42H73N17O13/c1-22(2)17-26(37(68)56-24(11-12-30(44)61)35(66)51-18-31(62)54-25(40(71)72)8-4-14-50-42(47)48)55-32(63)19-52-38(69)28-9-5-16-59(28)39(70)29-10-6-15-58(29)33(64)20-53-36(67)27(21-60)57-34(65)23(43)7-3-13-49-41(45)46/h22-29,60H,3-21,43H2,1-2H3,(H2,44,61)(H,51,66)(H,52,69)(H,53,67)(H,54,62)(H,55,63)(H,56,68)(H,57,65)(H,71,72)(H4,45,46,49)(H4,47,48,50)/t23-,24-,25-,26-,27-,28-,29-/m0/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Effective agonist concentration to human orexin receptor type 1 determined using the Xlfit program


J Med Chem 47: 1153-60 (2004)


Article DOI: 10.1021/jm030982t
BindingDB Entry DOI: 10.7270/Q2WD400B
More data for this
Ligand-Target Pair
NAD-dependent deacetylase HST2


(Saccharomyces cerevisiae)
BDBM50242435
PNG
((2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-{...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(N)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C49H89N19O16/c1-26(46(81)68-22-10-15-34(68)44(79)64-31(14-9-21-57-48(54)55)41(76)63-30(12-4-7-19-51)42(77)65-32(47(82)83)16-17-35(53)71)61-40(75)29(13-5-8-20-58-49(56)84)62-37(73)24-59-36(72)23-60-45(80)38(27(2)70)67-43(78)33(25-69)66-39(74)28(52)11-3-6-18-50/h26-34,38,69-70H,3-25,50-52H2,1-2H3,(H2,53,71)(H,59,72)(H,60,80)(H,61,75)(H,62,73)(H,63,76)(H,64,79)(H,65,77)(H,66,74)(H,67,78)(H,82,83)(H4,54,55,57)(H3,56,58,84)/t26-,27+,28-,29-,30-,31-,32-,33-,34-,38-/m0/s1
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n/an/an/a 3.30E+3n/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to Saccharomyces cerevisiae Hst2 by isothermal titration calorimetry


J Biol Chem 282: 37256-65 (2007)


Article DOI: 10.1074/jbc.M707878200
BindingDB Entry DOI: 10.7270/Q2H132W7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50139963
PNG
(CHEMBL386724 | R-S-G-P-P-G-L-Q-G-R)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C42H73N17O13/c1-22(2)17-26(37(68)56-24(11-12-30(44)61)35(66)51-18-31(62)54-25(40(71)72)8-4-14-50-42(47)48)55-32(63)19-52-38(69)28-9-5-16-59(28)39(70)29-10-6-15-58(29)33(64)20-53-36(67)27(21-60)57-34(65)23(43)7-3-13-49-41(45)46/h22-29,60H,3-21,43H2,1-2H3,(H2,44,61)(H,51,66)(H,52,69)(H,53,67)(H,54,62)(H,55,63)(H,56,68)(H,57,65)(H,71,72)(H4,45,46,49)(H4,47,48,50)/t23-,24-,25-,26-,27-,28-,29-/m0/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Effective agonist concentration to the human Orexin receptor type 2 was determined using the Xlfit program


J Med Chem 47: 1153-60 (2004)


Article DOI: 10.1021/jm030982t
BindingDB Entry DOI: 10.7270/Q2WD400B
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Ligand-Target Pair