Found 163 hits with Last Name = 'tumwebaze' and Initial = 'pk' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516225
(CHEMBL4521524)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1cc(ccc1F)-c1ccccc1F |r| Show InChI InChI=1S/C30H34F2N4O5S/c1-19-9-12-21(13-10-19)42(40,41)36-26(18-27(37)35-30(2,3)4)29(39)34-16-15-33-28(38)23-17-20(11-14-25(23)32)22-7-5-6-8-24(22)31/h5-14,17,26,36H,15-16,18H2,1-4H3,(H,33,38)(H,34,39)(H,35,37)/t26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516228
(CHEMBL4538027)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1ccccc1O |r| Show InChI InChI=1S/C24H32N4O6S/c1-16-9-11-17(12-10-16)35(33,34)28-19(15-21(30)27-24(2,3)4)23(32)26-14-13-25-22(31)18-7-5-6-8-20(18)29/h5-12,19,28-29H,13-15H2,1-4H3,(H,25,31)(H,26,32)(H,27,30)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516218
(CHEMBL4458871)Show SMILES Cc1cc(no1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1cc(ccc1F)-c1ccccc1F |r| Show InChI InChI=1S/C27H31F2N5O6S/c1-16-13-24(33-40-16)41(38,39)34-22(15-23(35)32-27(2,3)4)26(37)31-12-11-30-25(36)19-14-17(9-10-21(19)29)18-7-5-6-8-20(18)28/h5-10,13-14,22,34H,11-12,15H2,1-4H3,(H,30,36)(H,31,37)(H,32,35)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516233
(CHEMBL4584213)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H31ClN4O5S/c1-16-5-11-19(12-6-16)35(33,34)29-20(15-21(30)28-24(2,3)4)23(32)27-14-13-26-22(31)17-7-9-18(25)10-8-17/h5-12,20,29H,13-15H2,1-4H3,(H,26,31)(H,27,32)(H,28,30)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516219
(CHEMBL4461840)Show SMILES COc1cccc(c1)C(=O)NCCNC(=O)[C@H](CC(=O)NC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C25H34N4O6S/c1-17-9-11-20(12-10-17)36(33,34)29-21(16-22(30)28-25(2,3)4)24(32)27-14-13-26-23(31)18-7-6-8-19(15-18)35-5/h6-12,15,21,29H,13-14,16H2,1-5H3,(H,26,31)(H,27,32)(H,28,30)/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516210
(CHEMBL4567620)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1c(O)cccc1F |r| Show InChI InChI=1S/C24H31FN4O6S/c1-15-8-10-16(11-9-15)36(34,35)29-18(14-20(31)28-24(2,3)4)22(32)26-12-13-27-23(33)21-17(25)6-5-7-19(21)30/h5-11,18,29-30H,12-14H2,1-4H3,(H,26,32)(H,27,33)(H,28,31)/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516220
(CHEMBL4445784)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1ccccc1 |r| Show InChI InChI=1S/C24H32N4O5S/c1-17-10-12-19(13-11-17)34(32,33)28-20(16-21(29)27-24(2,3)4)23(31)26-15-14-25-22(30)18-8-6-5-7-9-18/h5-13,20,28H,14-16H2,1-4H3,(H,25,30)(H,26,31)(H,27,29)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50516225
(CHEMBL4521524)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1cc(ccc1F)-c1ccccc1F |r| Show InChI InChI=1S/C30H34F2N4O5S/c1-19-9-12-21(13-10-19)42(40,41)36-26(18-27(37)35-30(2,3)4)29(39)34-16-15-33-28(38)23-17-20(11-14-25(23)32)22-7-5-6-8-24(22)31/h5-14,17,26,36H,15-16,18H2,1-4H3,(H,33,38)(H,34,39)(H,35,37)/t26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S constitutive proteasome using suc-LLVY-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516213
(CHEMBL4444494)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1cccc(c1)C#C |r| Show InChI InChI=1S/C26H32N4O5S/c1-6-19-8-7-9-20(16-19)24(32)27-14-15-28-25(33)22(17-23(31)29-26(3,4)5)30-36(34,35)21-12-10-18(2)11-13-21/h1,7-13,16,22,30H,14-15,17H2,2-5H3,(H,27,32)(H,28,33)(H,29,31)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516221
(CHEMBL4521059)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C24H31FN4O5S/c1-16-8-10-19(11-9-16)35(33,34)29-20(15-21(30)28-24(2,3)4)23(32)27-13-12-26-22(31)17-6-5-7-18(25)14-17/h5-11,14,20,29H,12-13,15H2,1-4H3,(H,26,31)(H,27,32)(H,28,30)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 128 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516232
(CHEMBL4515222)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1ccccc1F |r| Show InChI InChI=1S/C24H31FN4O5S/c1-16-9-11-17(12-10-16)35(33,34)29-20(15-21(30)28-24(2,3)4)23(32)27-14-13-26-22(31)18-7-5-6-8-19(18)25/h5-12,20,29H,13-15H2,1-4H3,(H,26,31)(H,27,32)(H,28,30)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 169 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516227
(CHEMBL4448635)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H31FN4O5S/c1-16-5-11-19(12-6-16)35(33,34)29-20(15-21(30)28-24(2,3)4)23(32)27-14-13-26-22(31)17-7-9-18(25)10-8-17/h5-12,20,29H,13-15H2,1-4H3,(H,26,31)(H,27,32)(H,28,30)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 179 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516223
(CHEMBL4451203)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C24H30F2N4O5S/c1-15-5-8-17(9-6-15)36(34,35)30-20(14-21(31)29-24(2,3)4)23(33)28-12-11-27-22(32)16-7-10-18(25)19(26)13-16/h5-10,13,20,30H,11-12,14H2,1-4H3,(H,27,32)(H,28,33)(H,29,31)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 195 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516229
(CHEMBL4537720)Show SMILES CC(C)c1cccc(c1)C(=O)NCCNC(=O)[C@H](CC(=O)NC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C27H38N4O5S/c1-18(2)20-8-7-9-21(16-20)25(33)28-14-15-29-26(34)23(17-24(32)30-27(4,5)6)31-37(35,36)22-12-10-19(3)11-13-22/h7-13,16,18,23,31H,14-15,17H2,1-6H3,(H,28,33)(H,29,34)(H,30,32)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50567995
(CHEMBL4851471 | US11903936, Compound 20)Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1c[nH]cn1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <250 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP1A2 (unknown origin) using phenacetin O-deethylation by UPLC-MS analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00173
BindingDB Entry DOI: 10.7270/Q2NZ8CD4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50567995
(CHEMBL4851471 | US11903936, Compound 20)Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1c[nH]cn1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <250 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2D6 (unknown origin) by UPLC-MS analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00173
BindingDB Entry DOI: 10.7270/Q2NZ8CD4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50567995
(CHEMBL4851471 | US11903936, Compound 20)Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1c[nH]cn1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <250 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2C19 (unknown origin) by UPLC-MS analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00173
BindingDB Entry DOI: 10.7270/Q2NZ8CD4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50567995
(CHEMBL4851471 | US11903936, Compound 20)Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1c[nH]cn1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <250 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2C9 (unknown origin) by UPLC-MS analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00173
BindingDB Entry DOI: 10.7270/Q2NZ8CD4 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516212
(CHEMBL4577554)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1cc(C)ccc1F |r| Show InChI InChI=1S/C25H33FN4O5S/c1-16-6-9-18(10-7-16)36(34,35)30-21(15-22(31)29-25(3,4)5)24(33)28-13-12-27-23(32)19-14-17(2)8-11-20(19)26/h6-11,14,21,30H,12-13,15H2,1-5H3,(H,27,32)(H,28,33)(H,29,31)/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 384 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50516228
(CHEMBL4538027)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1ccccc1O |r| Show InChI InChI=1S/C24H32N4O6S/c1-16-9-11-17(12-10-16)35(33,34)28-19(15-21(30)27-24(2,3)4)23(32)26-14-13-25-22(31)18-7-5-6-8-20(18)29/h5-12,19,28-29H,13-15H2,1-4H3,(H,25,31)(H,26,32)(H,27,30)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 409 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S constitutive proteasome using suc-LLVY-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50516213
(CHEMBL4444494)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1cccc(c1)C#C |r| Show InChI InChI=1S/C26H32N4O5S/c1-6-19-8-7-9-20(16-19)24(32)27-14-15-28-25(33)22(17-23(31)29-26(3,4)5)30-36(34,35)21-12-10-18(2)11-13-21/h1,7-13,16,22,30H,14-15,17H2,2-5H3,(H,27,32)(H,28,33)(H,29,31)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S constitutive proteasome using suc-LLVY-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516209
(CHEMBL4516729)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1cccc(O)c1 |r| Show InChI InChI=1S/C24H32N4O6S/c1-16-8-10-19(11-9-16)35(33,34)28-20(15-21(30)27-24(2,3)4)23(32)26-13-12-25-22(31)17-6-5-7-18(29)14-17/h5-11,14,20,28-29H,12-13,15H2,1-4H3,(H,25,31)(H,26,32)(H,27,30)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 475 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50516219
(CHEMBL4461840)Show SMILES COc1cccc(c1)C(=O)NCCNC(=O)[C@H](CC(=O)NC(C)(C)C)NS(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C25H34N4O6S/c1-17-9-11-20(12-10-17)36(33,34)29-21(16-22(30)28-25(2,3)4)24(32)27-14-13-26-23(31)18-7-6-8-19(15-18)35-5/h6-12,15,21,29H,13-14,16H2,1-5H3,(H,26,31)(H,27,32)(H,28,30)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 506 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S constitutive proteasome using suc-LLVY-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50516210
(CHEMBL4567620)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1c(O)cccc1F |r| Show InChI InChI=1S/C24H31FN4O6S/c1-15-8-10-16(11-9-15)36(34,35)29-18(14-20(31)28-24(2,3)4)22(32)26-12-13-27-23(33)21-17(25)6-5-7-19(21)30/h5-11,18,29-30H,12-14H2,1-4H3,(H,26,32)(H,27,33)(H,28,31)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S constitutive proteasome using suc-LLVY-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516230
(CHEMBL4532885)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C25H31F3N4O5S/c1-16-8-10-19(11-9-16)38(36,37)32-20(15-21(33)31-24(2,3)4)23(35)30-13-12-29-22(34)17-6-5-7-18(14-17)25(26,27)28/h5-11,14,20,32H,12-13,15H2,1-4H3,(H,29,34)(H,30,35)(H,31,33)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 763 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50516218
(CHEMBL4458871)Show SMILES Cc1cc(no1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1cc(ccc1F)-c1ccccc1F |r| Show InChI InChI=1S/C27H31F2N5O6S/c1-16-13-24(33-40-16)41(38,39)34-22(15-23(35)32-27(2,3)4)26(37)31-12-11-30-25(36)19-14-17(9-10-21(19)29)18-7-5-6-8-20(18)28/h5-10,13-14,22,34H,11-12,15H2,1-4H3,(H,30,36)(H,31,37)(H,32,35)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S constitutive proteasome using suc-LLVY-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50516232
(CHEMBL4515222)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1ccccc1F |r| Show InChI InChI=1S/C24H31FN4O5S/c1-16-9-11-17(12-10-16)35(33,34)29-20(15-21(30)28-24(2,3)4)23(32)27-14-13-26-22(31)18-7-5-6-8-19(18)25/h5-12,20,29H,13-15H2,1-4H3,(H,26,31)(H,27,32)(H,28,30)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S constitutive proteasome using suc-LLVY-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516222
(CHEMBL4555610)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C24H31ClN4O5S/c1-16-9-11-17(12-10-16)35(33,34)29-20(15-21(30)28-24(2,3)4)23(32)27-14-13-26-22(31)18-7-5-6-8-19(18)25/h5-12,20,29H,13-15H2,1-4H3,(H,26,31)(H,27,32)(H,28,30)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50516220
(CHEMBL4445784)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1ccccc1 |r| Show InChI InChI=1S/C24H32N4O5S/c1-17-10-12-19(13-11-17)34(32,33)28-20(16-21(29)27-24(2,3)4)23(31)26-15-14-25-22(30)18-8-6-5-7-9-18/h5-13,20,28H,14-16H2,1-4H3,(H,25,30)(H,26,31)(H,27,29)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S constitutive proteasome using suc-LLVY-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50567995
(CHEMBL4851471 | US11903936, Compound 20)Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1c[nH]cn1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP3A4 (unknown origin) by UPLC-MS analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00173
BindingDB Entry DOI: 10.7270/Q2NZ8CD4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50567966
(CHEMBL4850116)Show SMILES CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cn[nH]c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2C9 (unknown origin) by UPLC-MS analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00173
BindingDB Entry DOI: 10.7270/Q2NZ8CD4 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50567998
(CHEMBL4876457 | US11903936, Compound 26)Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(c(c1)C#N)C(F)(F)F)c1nc[nH]n1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of NK1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00173
BindingDB Entry DOI: 10.7270/Q2NZ8CD4 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516214
(CHEMBL4475733)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1ccccn1 |r| Show InChI InChI=1S/C23H31N5O5S/c1-16-8-10-17(11-9-16)34(32,33)28-19(15-20(29)27-23(2,3)4)22(31)26-14-13-25-21(30)18-7-5-6-12-24-18/h5-12,19,28H,13-15H2,1-4H3,(H,25,30)(H,26,31)(H,27,29)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516216
(CHEMBL4563110)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C24H33N5O5S/c1-17-10-12-19(13-11-17)35(33,34)29-20(16-21(30)28-24(2,3)4)22(31)25-14-15-26-23(32)27-18-8-6-5-7-9-18/h5-13,20,29H,14-16H2,1-4H3,(H,25,31)(H,28,30)(H2,26,27,32)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50516221
(CHEMBL4521059)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C24H31FN4O5S/c1-16-8-10-19(11-9-16)35(33,34)29-20(15-21(30)28-24(2,3)4)23(32)27-13-12-26-22(31)17-6-5-7-18(25)14-17/h5-11,14,20,29H,12-13,15H2,1-4H3,(H,26,31)(H,27,32)(H,28,30)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S constitutive proteasome using suc-LLVY-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516208
(CHEMBL4471926)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C25H35N5O5S/c1-18-10-12-20(13-11-18)36(34,35)30-21(16-22(31)29-25(2,3)4)23(32)26-14-15-27-24(33)28-17-19-8-6-5-7-9-19/h5-13,21,30H,14-17H2,1-4H3,(H,26,32)(H,29,31)(H2,27,28,33)/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516226
(CHEMBL4589303)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H32N4O6S2/c1-17-10-12-19(13-11-17)35(32,33)27-20(16-21(28)26-23(2,3)4)22(29)24-14-15-25-34(30,31)18-8-6-5-7-9-18/h5-13,20,25,27H,14-16H2,1-4H3,(H,24,29)(H,26,28)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50567998
(CHEMBL4876457 | US11903936, Compound 26)Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(c(c1)C#N)C(F)(F)F)c1nc[nH]n1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2C9 (unknown origin) by UPLC-MS analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00173
BindingDB Entry DOI: 10.7270/Q2NZ8CD4 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516215
(CHEMBL4447046)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1cc(C)ccn1 |r| Show InChI InChI=1S/C24H33N5O5S/c1-16-6-8-18(9-7-16)35(33,34)29-20(15-21(30)28-24(3,4)5)23(32)27-13-12-26-22(31)19-14-17(2)10-11-25-19/h6-11,14,20,29H,12-13,15H2,1-5H3,(H,26,31)(H,27,32)(H,28,30)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516231
(CHEMBL4536963)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1cc(Cl)ccn1 |r| Show InChI InChI=1S/C23H30ClN5O5S/c1-15-5-7-17(8-6-15)35(33,34)29-19(14-20(30)28-23(2,3)4)22(32)27-12-11-26-21(31)18-13-16(24)9-10-25-18/h5-10,13,19,29H,11-12,14H2,1-4H3,(H,26,31)(H,27,32)(H,28,30)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50567966
(CHEMBL4850116)Show SMILES CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cn[nH]c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2C19 (unknown origin) by UPLC-MS analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00173
BindingDB Entry DOI: 10.7270/Q2NZ8CD4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50567966
(CHEMBL4850116)Show SMILES CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cn[nH]c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2D6 (unknown origin) by UPLC-MS analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00173
BindingDB Entry DOI: 10.7270/Q2NZ8CD4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50567998
(CHEMBL4876457 | US11903936, Compound 26)Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(c(c1)C#N)C(F)(F)F)c1nc[nH]n1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2C19 (unknown origin) by UPLC-MS analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00173
BindingDB Entry DOI: 10.7270/Q2NZ8CD4 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50516209
(CHEMBL4516729)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1cccc(O)c1 |r| Show InChI InChI=1S/C24H32N4O6S/c1-16-8-10-19(11-9-16)35(33,34)28-20(15-21(30)27-24(2,3)4)23(32)26-13-12-25-22(31)17-6-5-7-18(29)14-17/h5-11,14,20,28-29H,12-13,15H2,1-4H3,(H,25,31)(H,26,32)(H,27,30)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S constitutive proteasome using suc-LLVY-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516211
(CHEMBL4466632)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1cccc(c1)C#N |r| Show InChI InChI=1S/C25H31N5O5S/c1-17-8-10-20(11-9-17)36(34,35)30-21(15-22(31)29-25(2,3)4)24(33)28-13-12-27-23(32)19-7-5-6-18(14-19)16-26/h5-11,14,21,30H,12-13,15H2,1-4H3,(H,27,32)(H,28,33)(H,29,31)/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50516233
(CHEMBL4584213)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H31ClN4O5S/c1-16-5-11-19(12-6-16)35(33,34)29-20(15-21(30)28-24(2,3)4)23(32)27-14-13-26-22(31)17-7-9-18(25)10-8-17/h5-12,20,29H,13-15H2,1-4H3,(H,26,31)(H,27,32)(H,28,30)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S constitutive proteasome using suc-LLVY-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50516224
(CHEMBL4573901)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1cc(Cl)ccc1Cl |r| Show InChI InChI=1S/C24H30Cl2N4O5S/c1-15-5-8-17(9-6-15)36(34,35)30-20(14-21(31)29-24(2,3)4)23(33)28-12-11-27-22(32)18-13-16(25)7-10-19(18)26/h5-10,13,20,30H,11-12,14H2,1-4H3,(H,27,32)(H,28,33)(H,29,31)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S immunoproteasome using Ac-ANW-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50516223
(CHEMBL4451203)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCNC(=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C24H30F2N4O5S/c1-15-5-8-17(9-6-15)36(34,35)30-20(14-21(31)29-24(2,3)4)23(33)28-12-11-27-22(32)16-7-10-18(25)19(26)13-16/h5-10,13,20,30H,11-12,14H2,1-4H3,(H,27,32)(H,28,33)(H,29,31)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Weill Cornell Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human beta5 20S constitutive proteasome using suc-LLVY-AMC as substrate |
J Med Chem 62: 6137-6145 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00363
BindingDB Entry DOI: 10.7270/Q2862KTQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50567991
(CHEMBL4848632 | US11903936, Compound 2)Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1nc[nH]n1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2C19 (unknown origin) by UPLC-MS analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00173
BindingDB Entry DOI: 10.7270/Q2NZ8CD4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50567991
(CHEMBL4848632 | US11903936, Compound 2)Show SMILES CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1nc[nH]n1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2D6 (unknown origin) by UPLC-MS analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00173
BindingDB Entry DOI: 10.7270/Q2NZ8CD4 |
More data for this
Ligand-Target Pair | |
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