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Compile Data Set for Download or QSAR

Found 22 hits from Carlsberg Laboratory   
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
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112584
PNG
(2-(2-{2-[2-(2-{2-[2-(2-Amino-3-methyl-pentanoylami...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CN[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C50H80N8O8S/c1-11-30(5)40(51)46(61)55-38(25-26-67-10)44(59)56-39(28-36-23-19-16-20-24-36)45(60)54-37(27-35-21-17-15-18-22-35)29-52-41(31(6)12-2)47(62)57-43(33(8)14-4)49(64)58-42(32(7)13-3)48(63)53-34(9)50(65)66/h15-24,30-34,37-43,52H,11-14,25-29,51H2,1-10H3,(H,53,63)(H,54,60)(H,55,61)(H,56,59)(H,57,62)(H,58,64)(H,65,66)/t30-,31-,32-,33-,34-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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50n/an/an/an/an/an/an/an/a



Carlsberg Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay


J Med Chem 45: 1971-82 (2002)


Article DOI: 10.1021/jm0110901
BindingDB Entry DOI: 10.7270/Q29887QH
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50370072
PNG
(CHEMBL1790422)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC1CCCCC1)C(=O)N[C@H](CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C59H80N8O11S/c1-5-36(2)52(67-53(71)37(3)62-54(72)47(60)31-39-14-10-7-11-15-39)58(76)63-43(30-38-12-8-6-9-13-38)35-61-49(32-40-16-22-44(68)23-17-40)56(74)64-48(28-29-79-4)55(73)65-50(33-41-18-24-45(69)25-19-41)57(75)66-51(59(77)78)34-42-20-26-46(70)27-21-42/h6,8-9,12-13,16-27,36-37,39,43,47-52,61,68-70H,5,7,10-11,14-15,28-35,60H2,1-4H3,(H,62,72)(H,63,76)(H,64,74)(H,65,73)(H,66,75)(H,67,71)(H,77,78)/t36-,37+,43+,47+,48+,49+,50+,51+,52+/m1/s1
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100n/an/an/an/an/an/an/an/a



Carlsberg Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay


J Med Chem 45: 1971-82 (2002)


Article DOI: 10.1021/jm0110901
BindingDB Entry DOI: 10.7270/Q29887QH
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112580
PNG
(CHEMBL268148 | PWGF(CH2NH)WWFW)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1
Show InChI InChI=1S/C69H72N12O8/c82-63(41-76-64(83)60(79-65(84)57-28-15-29-70-57)33-45-37-72-54-25-12-8-21-50(45)54)77-48(30-42-16-3-1-4-17-42)40-75-58(32-44-36-71-53-24-11-7-20-49(44)53)66(85)80-61(34-46-38-73-55-26-13-9-22-51(46)55)68(87)78-59(31-43-18-5-2-6-19-43)67(86)81-62(69(88)89)35-47-39-74-56-27-14-10-23-52(47)56/h1-14,16-27,36-39,48,57-62,70-75H,15,28-35,40-41H2,(H,76,83)(H,77,82)(H,78,87)(H,79,84)(H,80,85)(H,81,86)(H,88,89)/t48-,57+,58-,59-,60-,61-,62-/m0/s1
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200n/an/an/an/an/an/an/an/a



Carlsberg Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay


J Med Chem 45: 1971-82 (2002)


Article DOI: 10.1021/jm0110901
BindingDB Entry DOI: 10.7270/Q29887QH
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112597
PNG
(2-{2-[2-(2-{2-[2-[2-(2-Amino-3-carboxy-propionylam...)
Show SMILES CC(C)C[C@H](NC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C46H72N12O12/c1-24(2)16-33(42(65)56-34(17-25(3)4)44(67)58-39(26(5)6)45(68)55-32(46(69)70)13-15-37(49)60)51-22-29(18-27-10-8-7-9-11-27)53-43(66)35(19-28-21-50-23-52-28)57-41(64)31(12-14-36(48)59)54-40(63)30(47)20-38(61)62/h7-11,21,23-26,29-35,39,51H,12-20,22,47H2,1-6H3,(H2,48,59)(H2,49,60)(H,50,52)(H,53,66)(H,54,63)(H,55,68)(H,56,65)(H,57,64)(H,58,67)(H,61,62)(H,69,70)/t29-,30-,31-,32-,33-,34-,35-,39-/m0/s1
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500n/an/an/an/an/an/an/an/a



Carlsberg Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay


J Med Chem 45: 1971-82 (2002)


Article DOI: 10.1021/jm0110901
BindingDB Entry DOI: 10.7270/Q29887QH
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112581
PNG
(6-Amino-2-(2-{2-[2-(6-amino-2-{2-[6-amino-2-(2-ami...)
Show SMILES C[C@H](NC[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C45H77N11O10/c1-29(40(60)55-36(24-30-14-4-2-5-15-30)42(62)51-28-38(57)53-35(45(65)66)20-10-13-23-48)50-27-32(18-8-11-21-46)52-44(64)37(25-31-16-6-3-7-17-31)56-43(63)34(19-9-12-22-47)54-41(61)33(49)26-39(58)59/h3,6-7,16-17,29-30,32-37,50H,2,4-5,8-15,18-28,46-49H2,1H3,(H,51,62)(H,52,64)(H,53,57)(H,54,61)(H,55,60)(H,56,63)(H,58,59)(H,65,66)/t29-,32-,33-,34-,35-,36-,37-/m0/s1
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600n/an/an/an/an/an/an/an/a



Carlsberg Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay


J Med Chem 45: 1971-82 (2002)


Article DOI: 10.1021/jm0110901
BindingDB Entry DOI: 10.7270/Q29887QH
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112596
PNG
(6-Amino-2-{2-[2-(2-{2-[2-[6-amino-2-(2-amino-3-car...)
Show SMILES CC(C)C[C@H](NC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C48H80N12O10/c1-28(2)20-37(44(65)58-38(21-29(3)4)46(67)60-41(30(5)6)47(68)57-36(48(69)70)17-11-13-19-50)53-26-33(22-31-14-8-7-9-15-31)55-45(66)39(23-32-25-52-27-54-32)59-43(64)35(16-10-12-18-49)56-42(63)34(51)24-40(61)62/h7-9,14-15,25,27-30,33-39,41,53H,10-13,16-24,26,49-51H2,1-6H3,(H,52,54)(H,55,66)(H,56,63)(H,57,68)(H,58,65)(H,59,64)(H,60,67)(H,61,62)(H,69,70)/t33-,34-,35-,36-,37-,38-,39-,41-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Carlsberg Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay


J Med Chem 45: 1971-82 (2002)


Article DOI: 10.1021/jm0110901
BindingDB Entry DOI: 10.7270/Q29887QH
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112594
PNG
(CHEMBL266692 | ChaALF(CH2NH)YMYY)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC1CCCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C59H80N8O11S/c1-36(2)29-50(65-53(71)37(3)62-54(72)47(60)31-39-13-9-6-10-14-39)57(75)63-43(30-38-11-7-5-8-12-38)35-61-49(32-40-15-21-44(68)22-16-40)56(74)64-48(27-28-79-4)55(73)66-51(33-41-17-23-45(69)24-18-41)58(76)67-52(59(77)78)34-42-19-25-46(70)26-20-42/h5,7-8,11-12,15-26,36-37,39,43,47-52,61,68-70H,6,9-10,13-14,27-35,60H2,1-4H3,(H,62,72)(H,63,75)(H,64,74)(H,65,71)(H,66,73)(H,67,76)(H,77,78)/t37-,43-,47-,48-,49-,50-,51-,52-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Carlsberg Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay


J Med Chem 45: 1971-82 (2002)


Article DOI: 10.1021/jm0110901
BindingDB Entry DOI: 10.7270/Q29887QH
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112583
PNG
(1-{2-[2-[2-(6-Amino-2-{2-[2-(2-amino-3-methyl-pent...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCCN)CN[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C41H67N9O11/c1-6-24(4)35(43)39(58)49-31(20-34(53)54)36(55)45-22-33(52)47-27(10-7-8-16-42)21-44-29(18-23(2)3)37(56)48-30(19-26-12-14-28(51)15-13-26)38(57)46-25(5)40(59)50-17-9-11-32(50)41(60)61/h12-15,23-25,27,29-32,35,44,51H,6-11,16-22,42-43H2,1-5H3,(H,45,55)(H,46,57)(H,47,52)(H,48,56)(H,49,58)(H,53,54)(H,60,61)/t24-,25-,27-,29-,30-,31-,32-,35-/m0/s1
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5.30E+3n/an/an/an/an/an/an/an/a



Carlsberg Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay


J Med Chem 45: 1971-82 (2002)


Article DOI: 10.1021/jm0110901
BindingDB Entry DOI: 10.7270/Q29887QH
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112579
PNG
(6-Amino-2-(2-{2-[2-(6-amino-2-{2-[2-(2-amino-3-cyc...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CCCCN)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)CC1CCCCC1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C58H99N11O9/c1-3-38(2)51(57(76)65-45(58(77)78)29-17-19-31-60)69-56(75)49(36-50(62)70)68-53(72)46(33-40-22-10-5-11-23-40)63-37-43(28-16-18-30-59)64-54(73)47(34-41-24-12-6-13-25-41)67-55(74)48(35-42-26-14-7-15-27-42)66-52(71)44(61)32-39-20-8-4-9-21-39/h5,10-11,22-23,38-39,41-49,51,63H,3-4,6-9,12-21,24-37,59-61H2,1-2H3,(H2,62,70)(H,64,73)(H,65,76)(H,66,71)(H,67,74)(H,68,72)(H,69,75)(H,77,78)/t38-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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6.30E+3n/an/an/an/an/an/an/an/a



Carlsberg Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay


J Med Chem 45: 1971-82 (2002)


Article DOI: 10.1021/jm0110901
BindingDB Entry DOI: 10.7270/Q29887QH
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112591
PNG
(2-(2-{2-[2-(2-{2-[2-(2-Amino-4-methylsulfanyl-buty...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C50H78N12O9S/c1-8-28(3)40(47(68)61-41(29(4)9-2)48(69)62-42(31(6)63)49(70)71)60-43(64)30(5)55-27-34(24-32-16-11-10-12-17-32)57-45(66)38(20-15-22-54-50(52)53)58-46(67)39(59-44(65)36(51)21-23-72-7)25-33-26-56-37-19-14-13-18-35(33)37/h10-14,16-19,26,28-31,34,36,38-42,55-56,63H,8-9,15,20-25,27,51H2,1-7H3,(H,57,66)(H,58,67)(H,59,65)(H,60,64)(H,61,68)(H,62,69)(H,70,71)(H4,52,53,54)/t28-,29-,30-,31+,34-,36-,38-,39-,40-,41-,42-/m0/s1
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6.50E+3n/an/an/an/an/an/an/an/a



Carlsberg Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay


J Med Chem 45: 1971-82 (2002)


Article DOI: 10.1021/jm0110901
BindingDB Entry DOI: 10.7270/Q29887QH
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112585
PNG
(2-[3-Cyclohexyl-2-(2-{2-[2-(3-(3H-imidazol-4-yl)-2...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C54H78N10O8/c1-5-35(4)47(52(69)61-43(29-38-21-13-8-14-22-38)50(67)62-46(34(2)3)54(71)72)63-48(65)42(28-37-19-11-7-12-20-37)57-32-40(27-36-17-9-6-10-18-36)59-49(66)44(30-39-31-55-33-58-39)60-51(68)45-24-16-26-64(45)53(70)41-23-15-25-56-41/h6-7,9-12,17-20,31,33-35,38,40-47,56-57H,5,8,13-16,21-30,32H2,1-4H3,(H,55,58)(H,59,66)(H,60,68)(H,61,69)(H,62,67)(H,63,65)(H,71,72)/t35-,40-,41+,42-,43-,44-,45-,46-,47-/m0/s1
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6.60E+3n/an/an/an/an/an/an/an/a



Carlsberg Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay


J Med Chem 45: 1971-82 (2002)


Article DOI: 10.1021/jm0110901
BindingDB Entry DOI: 10.7270/Q29887QH
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112582
PNG
(6-Amino-2-[2-(2-{2-[2-(2-{6-amino-2-[(pyrrolidine-...)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H]1CCCN1)C(O)=O
Show InChI InChI=1S/C48H76N14O10/c49-21-9-7-18-34(58-41(65)33-20-12-23-54-33)42(66)60-36(25-30-13-3-1-4-14-30)43(67)57-32(17-11-24-55-48(52)53)28-56-39(29-63)46(70)61-37(26-31-15-5-2-6-16-31)44(68)62-38(27-40(51)64)45(69)59-35(47(71)72)19-8-10-22-50/h1-6,13-16,32-39,54,56,63H,7-12,17-29,49-50H2,(H2,51,64)(H,57,67)(H,58,65)(H,59,69)(H,60,66)(H,61,70)(H,62,68)(H,71,72)(H4,52,53,55)/t32-,33+,34-,35-,36-,37-,38-,39-/m0/s1
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8.80E+3n/an/an/an/an/an/an/an/a



Carlsberg Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay


J Med Chem 45: 1971-82 (2002)


Article DOI: 10.1021/jm0110901
BindingDB Entry DOI: 10.7270/Q29887QH
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50370073
PNG
(CHEMBL1790421)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CC1CCCCC1)NC[C@H](Cc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(O)=O
Show InChI InChI=1S/C48H78N8O12S/c1-4-29(2)41(48(67)68)56-43(62)35(20-21-69-3)52-46(65)39(28-58)55-44(63)36(23-31-16-10-6-11-17-31)50-26-33(22-30-14-8-5-9-15-30)51-45(64)37(24-32-18-12-7-13-19-32)53-47(66)38(27-57)54-42(61)34(49)25-40(59)60/h5,8-9,14-15,29,31-39,41,50,57-58H,4,6-7,10-13,16-28,49H2,1-3H3,(H,51,64)(H,52,65)(H,53,66)(H,54,61)(H,55,63)(H,56,62)(H,59,60)(H,67,68)/t29-,33+,34+,35+,36+,37+,38+,39+,41+/m1/s1
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1.01E+4n/an/an/an/an/an/an/an/a



Carlsberg Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay


J Med Chem 45: 1971-82 (2002)


Article DOI: 10.1021/jm0110901
BindingDB Entry DOI: 10.7270/Q29887QH
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50370068
PNG
(CHEMBL1790423)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)C1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CC1CCCCC1)C(O)=O
Show InChI InChI=1S/C49H76N8O7/c1-5-33(4)43(47(61)54-40(49(63)64)30-36-22-13-8-14-23-36)56-44(58)39(29-35-20-11-7-12-21-35)52-31-37(28-34-18-9-6-10-19-34)53-46(60)42(32(2)3)55-45(59)41-25-17-27-57(41)48(62)38(51)24-15-16-26-50/h6-7,9-12,18-21,32-33,36-43,52H,5,8,13-17,22-31,50-51H2,1-4H3,(H,53,60)(H,54,61)(H,55,59)(H,56,58)(H,63,64)/t33-,37+,38+,39+,40+,41?,42+,43+/m1/s1
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1.30E+4n/an/an/an/an/an/an/an/a



Carlsberg Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay


J Med Chem 45: 1971-82 (2002)


Article DOI: 10.1021/jm0110901
BindingDB Entry DOI: 10.7270/Q29887QH
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50370070
PNG
(CHEMBL1790419)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C44H76N10O10/c1-7-28(6)38(43(62)53-37(27(4)5)42(61)52-33(44(63)64)18-12-14-20-46)54-41(60)34(21-26(2)3)48-24-30(22-29-15-9-8-10-16-29)50-35(55)25-49-40(59)32(17-11-13-19-45)51-39(58)31(47)23-36(56)57/h8-10,15-16,26-28,30-34,37-38,48H,7,11-14,17-25,45-47H2,1-6H3,(H,49,59)(H,50,55)(H,51,58)(H,52,61)(H,53,62)(H,54,60)(H,56,57)(H,63,64)/t28-,30+,31+,32+,33+,34+,37+,38+/m1/s1
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1.86E+4n/an/an/an/an/an/an/an/a



Carlsberg Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay


J Med Chem 45: 1971-82 (2002)


Article DOI: 10.1021/jm0110901
BindingDB Entry DOI: 10.7270/Q29887QH
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50370074
PNG
(CHEMBL1790420)
Show SMILES CC[C@@H](C)[C@H](NC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C48H80N12O10/c1-7-29(5)40(46(67)60-41(30(6)8-2)47(68)59-39(28(3)4)45(66)57-36(48(69)70)19-13-15-21-50)53-26-33(22-31-16-10-9-11-17-31)55-44(65)37(23-32-25-52-27-54-32)58-43(64)35(18-12-14-20-49)56-42(63)34(51)24-38(61)62/h9-11,16-17,25,27-30,33-37,39-41,53H,7-8,12-15,18-24,26,49-51H2,1-6H3,(H,52,54)(H,55,65)(H,56,63)(H,57,66)(H,58,64)(H,59,68)(H,60,67)(H,61,62)(H,69,70)/t29-,30-,33+,34+,35+,36+,37+,39+,40+,41+/m1/s1
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2.00E+4n/an/an/an/an/an/an/an/a



Carlsberg Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay


J Med Chem 45: 1971-82 (2002)


Article DOI: 10.1021/jm0110901
BindingDB Entry DOI: 10.7270/Q29887QH
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50370069
PNG
(CHEMBL1790418)
Show SMILES CC[C@@H](C)[C@H](NC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C46H72N12O12/c1-7-25(5)38(44(67)58-39(26(6)8-2)45(68)57-37(24(3)4)43(66)55-32(46(69)70)15-17-35(49)60)51-22-29(18-27-12-10-9-11-13-27)53-42(65)33(19-28-21-50-23-52-28)56-41(64)31(14-16-34(48)59)54-40(63)30(47)20-36(61)62/h9-13,21,23-26,29-33,37-39,51H,7-8,14-20,22,47H2,1-6H3,(H2,48,59)(H2,49,60)(H,50,52)(H,53,65)(H,54,63)(H,55,66)(H,56,64)(H,57,68)(H,58,67)(H,61,62)(H,69,70)/t25-,26-,29+,30+,31+,32+,33+,37+,38+,39+/m1/s1
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3.00E+4n/an/an/an/an/an/an/an/a



Carlsberg Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay


J Med Chem 45: 1971-82 (2002)


Article DOI: 10.1021/jm0110901
BindingDB Entry DOI: 10.7270/Q29887QH
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112592
PNG
(6-Amino-2-(2-{2-[2-(2-{6-amino-2-[6-amino-2-(2-ami...)
Show SMILES C[C@H](NC[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C45H77N11O10/c1-29(40(60)56-37(25-31-16-6-3-7-17-31)42(62)51-28-38(57)53-36(45(65)66)20-10-13-23-48)50-27-32(24-30-14-4-2-5-15-30)52-43(63)34(18-8-11-21-46)55-44(64)35(19-9-12-22-47)54-41(61)33(49)26-39(58)59/h2,4-5,14-15,29,31-37,50H,3,6-13,16-28,46-49H2,1H3,(H,51,62)(H,52,63)(H,53,57)(H,54,61)(H,55,64)(H,56,60)(H,58,59)(H,65,66)/t29-,32-,33-,34-,35-,36-,37-/m0/s1
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3.11E+4n/an/an/an/an/an/an/an/a



Carlsberg Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay


J Med Chem 45: 1971-82 (2002)


Article DOI: 10.1021/jm0110901
BindingDB Entry DOI: 10.7270/Q29887QH
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112587
PNG
(2-(2-{2-[2-[2-[2-[2-(2-Amino-propionylamino)-3-met...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C51H66N10O10/c1-8-27(4)43(61-44(63)28(5)52)50(69)59-41(23-33-25-54-38-16-12-10-14-36(33)38)49(68)57-39(21-31-17-19-34(62)20-18-31)48(67)58-40(22-32-24-53-37-15-11-9-13-35(32)37)47(66)56-29(6)45(64)55-30(7)46(65)60-42(26(2)3)51(70)71/h9-20,24-30,39-43,53-54,62H,8,21-23,52H2,1-7H3,(H,55,64)(H,56,66)(H,57,68)(H,58,67)(H,59,69)(H,60,65)(H,61,63)(H,70,71)/t27-,28-,29-,30-,39-,40-,41-,42-,43-/m0/s1
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4.47E+4n/an/an/an/an/an/an/an/a



Carlsberg Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay


J Med Chem 45: 1971-82 (2002)


Article DOI: 10.1021/jm0110901
BindingDB Entry DOI: 10.7270/Q29887QH
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50370071
PNG
(CHEMBL1790424)
Show SMILES CC[C@@H](C)[C@H](N)C(=O)N[C@@H]([C@H](C)O)C(=O)NCC(=O)N[C@H](CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C44H68N8O10/c1-9-25(5)35(45)40(57)52-38(28(8)53)41(58)47-23-34(55)49-31(20-29-14-12-11-13-15-29)22-46-33(21-30-16-18-32(54)19-17-30)39(56)51-37(26(6)10-2)43(60)50-36(24(3)4)42(59)48-27(7)44(61)62/h11-19,24-28,31,33,35-38,46,53-54H,9-10,20-23,45H2,1-8H3,(H,47,58)(H,48,59)(H,49,55)(H,50,60)(H,51,56)(H,52,57)(H,61,62)/t25-,26-,27+,28+,31+,33+,35+,36+,37+,38+/m1/s1
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5.33E+4n/an/an/an/an/an/an/an/a



Carlsberg Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay


J Med Chem 45: 1971-82 (2002)


Article DOI: 10.1021/jm0110901
BindingDB Entry DOI: 10.7270/Q29887QH
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112588
PNG
(2-[2-{2-[2-(2-{2-[2-(2-Amino-3-methyl-butyrylamino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C44H77N13O10/c1-7-26(6)37(42(65)55-32(18-29-20-48-23-52-29)40(63)56-33(43(66)67)19-35(59)60)57-39(62)30(16-24(2)3)50-21-28(14-11-15-49-44(46)47)53-34(58)22-51-38(61)31(17-27-12-9-8-10-13-27)54-41(64)36(45)25(4)5/h20,23-28,30-33,36-37,50H,7-19,21-22,45H2,1-6H3,(H,48,52)(H,51,61)(H,53,58)(H,54,64)(H,55,65)(H,56,63)(H,57,62)(H,59,60)(H,66,67)(H4,46,47,49)/t26-,28-,30-,31-,32-,33-,36-,37-/m0/s1
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7.16E+4n/an/an/an/an/an/an/an/a



Carlsberg Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay


J Med Chem 45: 1971-82 (2002)


Article DOI: 10.1021/jm0110901
BindingDB Entry DOI: 10.7270/Q29887QH
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50112578
PNG
(2-(2-{2-[2-(6-Amino-2-{2-[2-(2-amino-3-methyl-pent...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)CN[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C43H81N9O10/c1-10-24(5)32(45)39(57)49-33(23(3)4)40(58)51-35(27(8)53)42(60)47-30(19-15-16-20-44)22-46-26(7)37(55)50-34(25(6)11-2)41(59)48-31(21-29-17-13-12-14-18-29)38(56)52-36(28(9)54)43(61)62/h23-36,46,53-54H,10-22,44-45H2,1-9H3,(H,47,60)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,56)(H,61,62)/t24-,25-,26-,27+,28+,30-,31-,32-,33-,34-,35-,36-/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



Carlsberg Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana Cysteine protease B (CPB2.8deltaCTE) was obtained in a solution-phase assay


J Med Chem 45: 1971-82 (2002)


Article DOI: 10.1021/jm0110901
BindingDB Entry DOI: 10.7270/Q29887QH
More data for this
Ligand-Target Pair