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Compile Data Set for Download or QSAR

Found 768 hits with Last Name = 'chen' and Initial = 'bc'   
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
Cruzipain


(Trypanosoma cruzi)
BDBM50229129
PNG
(4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...)
Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34|
Show InChI InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1
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0.200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Time dependent inhibition of Trypanosoma cruzi cruzain using Cbz-Phe-Arg-AMC as substrate assessed as inhibition constant for EI complex measured for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00628
BindingDB Entry DOI: 10.7270/Q2445RC5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50286450
PNG
(CHEMBL128135 | [(S)-1-((S)-1-Benzyl-2-oxo-ethylcar...)
Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H26N2O4/c29-18-23(16-20-10-4-1-5-11-20)27-25(30)24(17-21-12-6-2-7-13-21)28-26(31)32-19-22-14-8-3-9-15-22/h1-15,18,23-24H,16-17,19H2,(H,27,30)(H,28,31)/t23-,24-/m0/s1
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0.440n/an/an/an/an/an/an/an/a


TBA

Assay Description
Time dependent inhibition of Trypanosoma cruzi cruzain using Cbz-Phe-Arg-AMC as substrate assessed as inhibition constant for EI complex measured for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00628
BindingDB Entry DOI: 10.7270/Q2445RC5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50581372
PNG
(CHEMBL5079418)
Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=O |r|
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0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Time dependent inhibition of Trypanosoma cruzi cruzain using Cbz-Phe-Arg-AMC as substrate assessed as inhibition constant for EI complex measured for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00628
BindingDB Entry DOI: 10.7270/Q2445RC5
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
BDBM50320792
PNG
(CHEMBL1165388 | Ethyl4-(5-[(2,4-diamino-6-quinazol...)
Show SMILES CCOC(=O)CCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC
Show InChI InChI=1S/C22H27N5O4/c1-3-30-20(28)5-4-10-31-19-12-15(7-9-18(19)29-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27)
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1.30n/an/an/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay


Bioorg Med Chem 18: 4056-66 (2010)


Article DOI: 10.1016/j.bmc.2010.04.020
BindingDB Entry DOI: 10.7270/Q26110GG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
BDBM50320793
PNG
(CHEMBL1165305 | Methyl5-(5-[(2,4-diamino-6-quinazo...)
Show SMILES COC(=O)CCCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC
Show InChI InChI=1S/C22H27N5O4/c1-29-18-9-7-15(12-19(18)31-10-4-3-5-20(28)30-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27)
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1.60n/an/an/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay


Bioorg Med Chem 18: 4056-66 (2010)


Article DOI: 10.1016/j.bmc.2010.04.020
BindingDB Entry DOI: 10.7270/Q26110GG
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
BDBM50320791
PNG
(6-[(3,4-Dimethoxyanilino)methyl]-2,4-quinazolinedi...)
Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OC
Show InChI InChI=1S/C17H19N5O2/c1-23-14-6-4-11(8-15(14)24-2)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h3-8,20H,9H2,1-2H3,(H4,18,19,21,22)
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1.60n/an/an/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay


Bioorg Med Chem 18: 4056-66 (2010)


Article DOI: 10.1016/j.bmc.2010.04.020
BindingDB Entry DOI: 10.7270/Q26110GG
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
BDBM50320794
PNG
(CHEMBL1165306 | Methyl4-[(5-[(2,4-diamino-6-quinaz...)
Show SMILES COC(=O)c1ccc(COc2cc(NCc3ccc4nc(N)nc(N)c4c3)ccc2OC)cc1
Show InChI InChI=1S/C25H25N5O4/c1-32-21-10-8-18(12-22(21)34-14-15-3-6-17(7-4-15)24(31)33-2)28-13-16-5-9-20-19(11-16)23(26)30-25(27)29-20/h3-12,28H,13-14H2,1-2H3,(H4,26,27,29,30)
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3.30n/an/an/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay


Bioorg Med Chem 18: 4056-66 (2010)


Article DOI: 10.1016/j.bmc.2010.04.020
BindingDB Entry DOI: 10.7270/Q26110GG
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
BDBM50320790
PNG
(4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amino-2-m...)
Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OCCCC(O)=O
Show InChI InChI=1S/C20H23N5O4/c1-28-16-7-5-13(10-17(16)29-8-2-3-18(26)27)23-11-12-4-6-15-14(9-12)19(21)25-20(22)24-15/h4-7,9-10,23H,2-3,8,11H2,1H3,(H,26,27)(H4,21,22,24,25)
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3.60n/an/an/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay


Bioorg Med Chem 18: 4056-66 (2010)


Article DOI: 10.1016/j.bmc.2010.04.020
BindingDB Entry DOI: 10.7270/Q26110GG
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50514675
PNG
(CHEMBL4472987)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)OCc1ccccc1 |r|
Show InChI InChI=1S/C33H32N2O5S/c36-32(31(24-27-15-7-2-8-16-27)35-33(37)40-25-28-17-9-3-10-18-28)34-29(23-26-13-5-1-6-14-26)21-22-41(38,39)30-19-11-4-12-20-30/h1-22,29,31H,23-25H2,(H,34,36)(H,35,37)/b22-21+/t29-,31+/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Texas A&M University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-Phe-Arg-AMC as substrate measured ...


J Med Chem 63: 3298-3316 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02078
BindingDB Entry DOI: 10.7270/Q2PV6PQD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 expressed in CHO cells by using WIN 55,2122Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50017021
PNG
(CHEMBL3287047 | US9428504, 1)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2cccc3O)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C31H35F3N4O3/c1-29(2,3)19-37-17-15-30(16-18-37)20-38(27-23(30)7-6-10-26(27)39)25-9-5-4-8-24(25)36-28(40)35-21-11-13-22(14-12-21)41-31(32,33)34/h4-14,39H,15-20H2,1-3H3,(H2,35,36,40)
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to P2Y1 receptor in human platelets


Bioorg Med Chem Lett 24: 1294-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.066
BindingDB Entry DOI: 10.7270/Q20G3MQF
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
BDBM50320791
PNG
(6-[(3,4-Dimethoxyanilino)methyl]-2,4-quinazolinedi...)
Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OC
Show InChI InChI=1S/C17H19N5O2/c1-23-14-6-4-11(8-15(14)24-2)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h3-8,20H,9H2,1-2H3,(H4,18,19,21,22)
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4.75n/an/an/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by Lineweaver-Burk plot


Bioorg Med Chem 18: 4056-66 (2010)


Article DOI: 10.1016/j.bmc.2010.04.020
BindingDB Entry DOI: 10.7270/Q26110GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50451435
PNG
(CHEMBL2112289)
Show SMILES [H][C@@]12CC[C@@](C)(C1)C(NC(=O)c1c(C)n(CCCCC)c3c(OC)cccc13)C2(C)C |r|
Show InChI InChI=1S/C26H38N2O2/c1-7-8-9-15-28-17(2)21(19-11-10-12-20(30-6)22(19)28)23(29)27-24-25(3,4)18-13-14-26(24,5)16-18/h10-12,18,24H,7-9,13-16H2,1-6H3,(H,27,29)/t18-,24?,26+/m1/s1
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
BDBM50320792
PNG
(CHEMBL1165388 | Ethyl4-(5-[(2,4-diamino-6-quinazol...)
Show SMILES CCOC(=O)CCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC
Show InChI InChI=1S/C22H27N5O4/c1-3-30-20(28)5-4-10-31-19-12-15(7-9-18(19)29-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27)
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5.68n/an/an/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by Lineweaver-Burk plot


Bioorg Med Chem 18: 4056-66 (2010)


Article DOI: 10.1016/j.bmc.2010.04.020
BindingDB Entry DOI: 10.7270/Q26110GG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
BDBM18268
PNG
(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC
Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)
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6.60n/an/an/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay


Bioorg Med Chem 18: 4056-66 (2010)


Article DOI: 10.1016/j.bmc.2010.04.020
BindingDB Entry DOI: 10.7270/Q26110GG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116851
PNG
((S)-2-{[7-Methoxy-2-methyl-1-(2-morpholin-4-yl-eth...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12
Show InChI InChI=1S/C27H33N3O5/c1-19-24(26(31)28-22(27(32)34-3)18-20-8-5-4-6-9-20)21-10-7-11-23(33-2)25(21)30(19)13-12-29-14-16-35-17-15-29/h4-11,22H,12-18H2,1-3H3,(H,28,31)/t22-/m0/s1
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 expressed in CHO cells by using WIN 55,2122Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116857
PNG
(7-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-i...)
Show SMILES COc1cccc2c(C(=O)N[C@@H](Cc3ccccc3)C(C)=O)c(C)n(CCN3CCOCC3)c12
Show InChI InChI=1S/C27H33N3O4/c1-19-25(27(32)28-23(20(2)31)18-21-8-5-4-6-9-21)22-10-7-11-24(33-3)26(22)30(19)13-12-29-14-16-34-17-15-29/h4-11,23H,12-18H2,1-3H3,(H,28,32)/t23-/m0/s1
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50320792
PNG
(CHEMBL1165388 | Ethyl4-(5-[(2,4-diamino-6-quinazol...)
Show SMILES CCOC(=O)CCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC
Show InChI InChI=1S/C22H27N5O4/c1-3-30-20(28)5-4-10-31-19-12-15(7-9-18(19)29-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27)
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9.60n/an/an/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of human DHFR by spectrophotometric assay


Bioorg Med Chem 18: 4056-66 (2010)


Article DOI: 10.1016/j.bmc.2010.04.020
BindingDB Entry DOI: 10.7270/Q26110GG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50320791
PNG
(6-[(3,4-Dimethoxyanilino)methyl]-2,4-quinazolinedi...)
Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OC
Show InChI InChI=1S/C17H19N5O2/c1-23-14-6-4-11(8-15(14)24-2)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h3-8,20H,9H2,1-2H3,(H4,18,19,21,22)
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11.8n/an/an/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of human DHFR by spectrophotometric assay


Bioorg Med Chem 18: 4056-66 (2010)


Article DOI: 10.1016/j.bmc.2010.04.020
BindingDB Entry DOI: 10.7270/Q26110GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116855
PNG
((S)-2-{[7-Methoxy-2-methyl-1-(2-morpholin-4-yl-eth...)
Show SMILES COC(=O)[C@H](Cc1cccs1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12
Show InChI InChI=1S/C25H31N3O5S/c1-17-22(24(29)26-20(25(30)32-3)16-18-6-5-15-34-18)19-7-4-8-21(31-2)23(19)28(17)10-9-27-11-13-33-14-12-27/h4-8,15,20H,9-14,16H2,1-3H3,(H,26,29)/t20-/m0/s1
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116849
PNG
(7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indole-3-c...)
Show SMILES COc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)NC1C2(C)CCC(C2)C1(C)C |THB:21:22:28:25.26|
Show InChI InChI=1S/C26H37N3O3/c1-25(2)18-8-9-26(3,16-18)24(25)27-23(30)20-17-29(11-10-28-12-14-32-15-13-28)22-19(20)6-5-7-21(22)31-4/h5-7,17-18,24H,8-16H2,1-4H3,(H,27,30)
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12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50320793
PNG
(CHEMBL1165305 | Methyl5-(5-[(2,4-diamino-6-quinazo...)
Show SMILES COC(=O)CCCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC
Show InChI InChI=1S/C22H27N5O4/c1-29-18-9-7-15(12-19(18)31-10-4-3-5-20(28)30-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27)
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13n/an/an/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of human DHFR by spectrophotometric assay


Bioorg Med Chem 18: 4056-66 (2010)


Article DOI: 10.1016/j.bmc.2010.04.020
BindingDB Entry DOI: 10.7270/Q26110GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50451436
PNG
(CHEMBL2112287)
Show SMILES COc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)N[C@@H]1C2(C)CCC(C2)C1(C)C |THB:21:22:28:25.26|
Show InChI InChI=1S/C26H37N3O3/c1-25(2)18-8-9-26(3,16-18)24(25)27-23(30)20-17-29(11-10-28-12-14-32-15-13-28)22-19(20)6-5-7-21(22)31-4/h5-7,17-18,24H,8-16H2,1-4H3,(H,27,30)/t18?,24-,26?/m0/s1
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13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50581371
PNG
(CHEMBL5081709)
Show SMILES COC(=O)c1ccc2OC(O)[C@H](Cc2c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
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18n/an/an/an/an/an/an/an/a


TBA

Assay Description
Time dependent inhibition of Trypanosoma cruzi cruzain using Cbz-Phe-Arg-AMC as substrate assessed as inhibition constant for EI complex measured for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00628
BindingDB Entry DOI: 10.7270/Q2445RC5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50451431
PNG
(CHEMBL2112293)
Show SMILES COc1cc(F)cc2c(C(=O)N[C@H]3C4(C)CCC(C4)C3(C)C)c(C)n(CCN3CCOCC3)c12 |THB:11:12:18:15.16|
Show InChI InChI=1S/C27H38FN3O3/c1-17-22(24(32)29-25-26(2,3)18-6-7-27(25,4)16-18)20-14-19(28)15-21(33-5)23(20)31(17)9-8-30-10-12-34-13-11-30/h14-15,18,25H,6-13,16H2,1-5H3,(H,29,32)/t18?,25-,27?/m1/s1
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18n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116837
PNG
((S)-2-{[7-Methoxy-2-methyl-1-(2-morpholin-4-yl-eth...)
Show SMILES COC(=O)[C@H](Cc1cscn1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12
Show InChI InChI=1S/C24H30N4O5S/c1-16-21(23(29)26-19(24(30)32-3)13-17-14-34-15-25-17)18-5-4-6-20(31-2)22(18)28(16)8-7-27-9-11-33-12-10-27/h4-6,14-15,19H,7-13H2,1-3H3,(H,26,29)/t19-/m0/s1
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20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50581366
PNG
(CHEMBL5079571)
Show SMILES COc1ccccc1C[C@H](NC(=O)[C@H](Cc1ccccc1)NCC(=O)OCc1ccccc1)C=O |r|
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22n/an/an/an/an/an/an/an/a


TBA

Assay Description
Time dependent inhibition of Trypanosoma cruzi cruzain using Cbz-Phe-Arg-AMC as substrate assessed as inhibition constant for EI complex measured for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00628
BindingDB Entry DOI: 10.7270/Q2445RC5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116859
PNG
(7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indole-3-c...)
Show SMILES COc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)NC1CC(C)(C)CCC1(C)C
Show InChI InChI=1S/C26H39N3O3/c1-25(2)9-10-26(3,4)22(17-25)27-24(30)20-18-29(12-11-28-13-15-32-16-14-28)23-19(20)7-6-8-21(23)31-5/h6-8,18,22H,9-17H2,1-5H3,(H,27,30)
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22n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116847
PNG
(7-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-i...)
Show SMILES CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12
Show InChI InChI=1S/C28H35N3O4/c1-4-24(32)23(19-21-9-6-5-7-10-21)29-28(33)26-20(2)31(14-13-30-15-17-35-18-16-30)27-22(26)11-8-12-25(27)34-3/h5-12,23H,4,13-19H2,1-3H3,(H,29,33)/t23-/m0/s1
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24n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50320794
PNG
(CHEMBL1165306 | Methyl4-[(5-[(2,4-diamino-6-quinaz...)
Show SMILES COC(=O)c1ccc(COc2cc(NCc3ccc4nc(N)nc(N)c4c3)ccc2OC)cc1
Show InChI InChI=1S/C25H25N5O4/c1-32-21-10-8-18(12-22(21)34-14-15-3-6-17(7-4-15)24(31)33-2)28-13-16-5-9-20-19(11-16)23(26)30-25(27)29-20/h3-12,28H,13-14H2,1-2H3,(H4,26,27,29,30)
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24.5n/an/an/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of human DHFR by spectrophotometric assay


Bioorg Med Chem 18: 4056-66 (2010)


Article DOI: 10.1016/j.bmc.2010.04.020
BindingDB Entry DOI: 10.7270/Q26110GG
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
BDBM50320789
PNG
(CHEMBL1164234 | methyl5-{5-[[(2,4-diamino-6-quinaz...)
Show SMILES CCCN(Cc1ccc2nc(N)nc(N)c2c1)c1ccc(OC)c(OCCCCC(=O)OC)c1
Show InChI InChI=1S/C25H33N5O4/c1-4-12-30(16-17-8-10-20-19(14-17)24(26)29-25(27)28-20)18-9-11-21(32-2)22(15-18)34-13-6-5-7-23(31)33-3/h8-11,14-15H,4-7,12-13,16H2,1-3H3,(H4,26,27,28,29)
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24.9n/an/an/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay


Bioorg Med Chem 18: 4056-66 (2010)


Article DOI: 10.1016/j.bmc.2010.04.020
BindingDB Entry DOI: 10.7270/Q26110GG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50451434
PNG
(CHEMBL2112290)
Show SMILES [H][C@@]12CC[C@@](C)(C1)C(NC(=O)c1c(C)n(CCCN3CCOCC3)c3c(OC)cccc13)C2(C)C |r|
Show InChI InChI=1S/C28H41N3O3/c1-19-23(25(32)29-26-27(2,3)20-10-11-28(26,4)18-20)21-8-6-9-22(33-5)24(21)31(19)13-7-12-30-14-16-34-17-15-30/h6,8-9,20,26H,7,10-18H2,1-5H3,(H,29,32)/t20-,26?,28+/m1/s1
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25n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116860
PNG
(7-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-i...)
Show SMILES COc1cccc2c(C(=O)N[C@H]3C4(C)CCC(C4)C3(C)C)c(C)n(CCN3CCOCC3)c12 |THB:10:11:17:14.15|
Show InChI InChI=1S/C27H39N3O3/c1-18-22(24(31)28-25-26(2,3)19-9-10-27(25,4)17-19)20-7-6-8-21(32-5)23(20)30(18)12-11-29-13-15-33-16-14-29/h6-8,19,25H,9-17H2,1-5H3,(H,28,31)/t19?,25-,27?/m1/s1
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30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116835
PNG
((S)-3-(3-Chloro-phenyl)-2-{[7-methoxy-2-methyl-1-(...)
Show SMILES COC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)c1c(C)n(CCN2CCOCC2)c2c(OC)cccc12
Show InChI InChI=1S/C27H32ClN3O5/c1-18-24(26(32)29-22(27(33)35-3)17-19-6-4-7-20(28)16-19)21-8-5-9-23(34-2)25(21)31(18)11-10-30-12-14-36-15-13-30/h4-9,16,22H,10-15,17H2,1-3H3,(H,29,32)/t22-/m0/s1
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31n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116852
PNG
(7-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-i...)
Show SMILES COc1cccc2c(C(=O)NC3CC(C)(C)CCC3(C)C)c(C)n(CCN3CCOCC3)c12
Show InChI InChI=1S/C27H41N3O3/c1-19-23(25(31)28-22-18-26(2,3)10-11-27(22,4)5)20-8-7-9-21(32-6)24(20)30(19)13-12-29-14-16-33-17-15-29/h7-9,22H,10-18H2,1-6H3,(H,28,31)
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38n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 1 expressed in CHO cells by using CP55,940 as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116845
PNG
(7-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-i...)
Show SMILES COc1cccc2c(C(=O)N[C@@H]3C4(C)CCC(C4)C3(C)C)c(C)n(CCN3CCOCC3)c12 |THB:10:11:17:14.15|
Show InChI InChI=1S/C27H39N3O3/c1-18-22(24(31)28-25-26(2,3)19-9-10-27(25,4)17-19)20-7-6-8-21(32-5)23(20)30(18)12-11-29-13-15-33-16-14-29/h6-8,19,25H,9-17H2,1-5H3,(H,28,31)/t19?,25-,27?/m0/s1
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41n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50581373
PNG
(CHEMBL5084365)
Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1Cc2ccccc2OC1O |r|
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47n/an/an/an/an/an/an/an/a


TBA

Assay Description
Time dependent inhibition of Trypanosoma cruzi cruzain using Cbz-Phe-Arg-AMC as substrate assessed as inhibition constant for EI complex measured for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00628
BindingDB Entry DOI: 10.7270/Q2445RC5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50581370
PNG
(CHEMBL5080091)
Show SMILES OC1Oc2ccc(F)cc2C[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
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48n/an/an/an/an/an/an/an/a


TBA

Assay Description
Time dependent inhibition of Trypanosoma cruzi cruzain using Cbz-Phe-Arg-AMC as substrate assessed as inhibition constant for EI complex measured for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00628
BindingDB Entry DOI: 10.7270/Q2445RC5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50581363
PNG
(CHEMBL5076256)
Show SMILES OC1Oc2ccccc2C[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
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49n/an/an/an/an/an/an/an/a


TBA

Assay Description
Time dependent inhibition of Trypanosoma cruzi cruzain using Cbz-Phe-Arg-AMC as substrate assessed as inhibition constant for EI complex measured for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00628
BindingDB Entry DOI: 10.7270/Q2445RC5
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50320790
PNG
(4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amino-2-m...)
Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OCCCC(O)=O
Show InChI InChI=1S/C20H23N5O4/c1-28-16-7-5-13(10-17(16)29-8-2-3-18(26)27)23-11-12-4-6-15-14(9-12)19(21)25-20(22)24-15/h4-7,9-10,23H,2-3,8,11H2,1H3,(H,26,27)(H4,21,22,24,25)
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49.8n/an/an/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of human DHFR by spectrophotometric assay


Bioorg Med Chem 18: 4056-66 (2010)


Article DOI: 10.1016/j.bmc.2010.04.020
BindingDB Entry DOI: 10.7270/Q26110GG
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50581379
PNG
(CHEMBL5079773)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccc[nH]c1=O)C=O |r|
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53n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human Cathepsin L


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00628
BindingDB Entry DOI: 10.7270/Q2445RC5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50451433
PNG
(CHEMBL2112291)
Show SMILES [H][C@@]12CC[C@@](C)(C1)C(NC(=O)c1c(C)n(CCOC)c3c(OC)cccc13)C2(C)C |r|
Show InChI InChI=1S/C24H34N2O3/c1-15-19(17-8-7-9-18(29-6)20(17)26(15)12-13-28-5)21(27)25-22-23(2,3)16-10-11-24(22,4)14-16/h7-9,16,22H,10-14H2,1-6H3,(H,25,27)/t16-,22?,24+/m1/s1
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60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116842
PNG
(7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indole-3-c...)
Show SMILES COc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)N[C@@H](C)Cc1ccccc1
Show InChI InChI=1S/C25H31N3O3/c1-19(17-20-7-4-3-5-8-20)26-25(29)22-18-28(12-11-27-13-15-31-16-14-27)24-21(22)9-6-10-23(24)30-2/h3-10,18-19H,11-17H2,1-2H3,(H,26,29)/t19-/m0/s1
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71n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50581369
PNG
(CHEMBL5082439)
Show SMILES OC1Oc2ccc(Cl)cc2C[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
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74n/an/an/an/an/an/an/an/a


TBA

Assay Description
Time dependent inhibition of Trypanosoma cruzi cruzain using Cbz-Phe-Arg-AMC as substrate assessed as inhibition constant for EI complex measured for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00628
BindingDB Entry DOI: 10.7270/Q2445RC5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50116846
PNG
((S)-2-[(E)-3-(4-Methoxy-3-pentyloxy-phenyl)-acrylo...)
Show SMILES CCCCCOc1cc(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)ccc1OC
Show InChI InChI=1S/C25H31NO5/c1-4-5-9-16-31-23-18-20(12-14-22(23)29-2)13-15-24(27)26-21(25(28)30-3)17-19-10-7-6-8-11-19/h6-8,10-15,18,21H,4-5,9,16-17H2,1-3H3,(H,26,27)/b15-13+/t21-/m0/s1
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86n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 expressed in CHO cells by using WIN 55,2122Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50514676
PNG
(CHEMBL4519086)
Show SMILES C[n+]1ccccc1\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C34H35N3O3/c1-37-24-12-11-19-31(37)23-22-30(21-20-27-13-5-2-6-14-27)35-33(38)32(25-28-15-7-3-8-16-28)36-34(39)40-26-29-17-9-4-10-18-29/h2-19,22-24,30,32H,20-21,25-26H2,1H3,(H-,35,36,38,39)/p+1/b23-22+/t30-,32-/m0/s1
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88n/an/an/an/an/an/an/an/a



Texas A&M University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain assessed as rate constant for enzyme-inhibitor-substrate complex using Cbz-Phe-Arg-AMC as substrate measured ...


J Med Chem 63: 3298-3316 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02078
BindingDB Entry DOI: 10.7270/Q2PV6PQD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50451438
PNG
(CHEMBL2112286)
Show SMILES [H][C@@]12CC[C@@](C)(C1)[C@H](NC(=O)c1c(C)n(CCN3CCCCC3)c3c(OC)cccc13)C2(C)C |r|
Show InChI InChI=1S/C28H41N3O2/c1-19-23(25(32)29-26-27(2,3)20-12-13-28(26,4)18-20)21-10-9-11-22(33-5)24(21)31(19)17-16-30-14-7-6-8-15-30/h9-11,20,26H,6-8,12-18H2,1-5H3,(H,29,32)/t20-,26-,28+/m1/s1
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89n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50451432
PNG
(CHEMBL2112292)
Show SMILES CCc1c(C(=O)N[C@H]2C3(C)CCC(C3)C2(C)C)c2cccc(OC)c2n1CCN1CCOCC1 |THB:6:7:13:10.11|
Show InChI InChI=1S/C28H41N3O3/c1-6-21-23(25(32)29-26-27(2,3)19-10-11-28(26,4)18-19)20-8-7-9-22(33-5)24(20)31(21)13-12-30-14-16-34-17-15-30/h7-9,19,26H,6,10-18H2,1-5H3,(H,29,32)/t19?,26-,28?/m1/s1
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103n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human CB2 receptor expressed in CHO cells by using WIN55,2122 Mesylate [5,73H] as Radioactive tracer


Bioorg Med Chem Lett 12: 2399-402 (2002)


BindingDB Entry DOI: 10.7270/Q2TM79FG
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50581368
PNG
(CHEMBL5089591)
Show SMILES Cc1ccc2OC(O)[C@H](Cc2c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
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103n/an/an/an/an/an/an/an/a


TBA

Assay Description
Time dependent inhibition of Trypanosoma cruzi cruzain using Cbz-Phe-Arg-AMC as substrate assessed as inhibition constant for EI complex measured for...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00628
BindingDB Entry DOI: 10.7270/Q2445RC5
More data for this
Ligand-Target Pair
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