Found 47 hits with Last Name = 'hirose' and Initial = 'y' 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 |
|---|
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50591389
(CHEMBL5179778)Show SMILES CC(C)C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01081
BindingDB Entry DOI: 10.7270/Q2NK3K0J |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50591390
(CHEMBL5190754)Show SMILES CC(C)C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@@H](F)Cl |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 224 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01081
BindingDB Entry DOI: 10.7270/Q2NK3K0J |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496902
(CVD-0018409 | PF-07321332 | US11351149, Example 13...)Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C Show InChI InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01081
BindingDB Entry DOI: 10.7270/Q2NK3K0J |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50063932
(CHEMBL3400965)Show SMILES Cl.Cc1oc(=O)oc1COC(=O)c1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c2c1 |r| Show InChI InChI=1S/C29H28ClN5O6/c1-16-23(41-29(38)40-16)15-39-27(37)17-9-10-20-22(12-17)33(2)26(36)25-24(20)32-28(34-11-5-7-19(31)14-34)35(25)13-18-6-3-4-8-21(18)30/h3-4,6,8-10,12,19H,5,7,11,13-15,31H2,1-2H3/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem 23: 779-90 (2015)
Article DOI: 10.1016/j.bmc.2014.12.051
BindingDB Entry DOI: 10.7270/Q2XD13B7 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM420298
(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01081
BindingDB Entry DOI: 10.7270/Q2NK3K0J |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50063933
(CHEMBL3400966)Show SMILES Cl.Cc1oc(=O)oc1COC(=O)c1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4cc(F)ccc4Cl)c3c(=O)n(C)c2c1 |r| Show InChI InChI=1S/C29H27ClFN5O6/c1-15-23(42-29(39)41-15)14-40-27(38)16-5-7-20-22(11-16)34(2)26(37)25-24(20)33-28(35-9-3-4-19(32)13-35)36(25)12-17-10-18(31)6-8-21(17)30/h5-8,10-11,19H,3-4,9,12-14,32H2,1-2H3/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem 23: 779-90 (2015)
Article DOI: 10.1016/j.bmc.2014.12.051
BindingDB Entry DOI: 10.7270/Q2XD13B7 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50591389
(CHEMBL5179778)Show SMILES CC(C)C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01081
BindingDB Entry DOI: 10.7270/Q2NK3K0J |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50063931
(CHEMBL3400964)Show SMILES Cl.Cc1oc(=O)oc1COC(=O)c1ccc2n(C)c(=O)c3n(Cc4cc(F)ccc4Cl)c(nc3c2c1)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C29H27ClFN5O6/c1-15-23(42-29(39)41-15)14-40-27(38)16-5-8-22-20(11-16)24-25(26(37)34(22)2)36(12-17-10-18(31)6-7-21(17)30)28(33-24)35-9-3-4-19(32)13-35/h5-8,10-11,19H,3-4,9,12-14,32H2,1-2H3/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem 23: 779-90 (2015)
Article DOI: 10.1016/j.bmc.2014.12.051
BindingDB Entry DOI: 10.7270/Q2XD13B7 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50591391
(CHEMBL5179611)Show SMILES CC(C)C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)NN(C[C@H]1CCNC1=O)C(=O)[C@H](F)Cl |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01081
BindingDB Entry DOI: 10.7270/Q2NK3K0J |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50063930
(CHEMBL3400963)Show SMILES Cl.Cc1oc(=O)oc1COC(=O)c1ccc2n(C)c(=O)c3n(Cc4ccccc4Cl)c(nc3c2c1)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C29H28ClN5O6/c1-16-23(41-29(38)40-16)15-39-27(37)17-9-10-22-20(12-17)24-25(26(36)33(22)2)35(13-18-6-3-4-8-21(18)30)28(32-24)34-11-5-7-19(31)14-34/h3-4,6,8-10,12,19H,5,7,11,13-15,31H2,1-2H3/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DPP4 |
Bioorg Med Chem 23: 779-90 (2015)
Article DOI: 10.1016/j.bmc.2014.12.051
BindingDB Entry DOI: 10.7270/Q2XD13B7 |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50591388
(CHEMBL5198073)Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01081
BindingDB Entry DOI: 10.7270/Q2NK3K0J |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50591392
(CHEMBL5195394)Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)NN(C[C@H]1CCNC1=O)C(=O)[C@H](F)Cl |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01081
BindingDB Entry DOI: 10.7270/Q2NK3K0J |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50591390
(CHEMBL5190754)Show SMILES CC(C)C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@@H](F)Cl |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01081
BindingDB Entry DOI: 10.7270/Q2NK3K0J |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50591394
(CHEMBL5172924)Show SMILES CC(C)C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)NN(C[C@@H]1CCNC1=O)C(C)=O |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 332 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01081
BindingDB Entry DOI: 10.7270/Q2NK3K0J |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50591393
(CHEMBL5197241)Show SMILES CC(C)C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)NN(C[C@H]1CCNC1=O)C(=O)[C@@H](F)Cl |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 464 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01081
BindingDB Entry DOI: 10.7270/Q2NK3K0J |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50276373
(CHEMBL4125713)Show SMILES [H][C@@]12CO[C@@]([H])(O1)C(=O)C(F)=C2 |r,c:11| Show InChI InChI=1S/C6H5FO3/c7-4-1-3-2-9-6(10-3)5(4)8/h1,3,6H,2H2/t3-,6+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
The Noguchi Institute
Curated by ChEMBL
| Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in C57BL/6 mouse bone marrow derived macrophages assessed as reduction in LPS-stimulate... |
Bioorg Med Chem 26: 3763-3772 (2018)
Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50276377
(CHEMBL4129636)Show SMILES [H][C@@]12CO[C@@]([H])(O1)C(OC(C)=O)=C(F)C2C(C)=O |r,t:12| Show InChI InChI=1S/C10H11FO5/c1-4(12)7-6-3-14-10(16-6)9(8(7)11)15-5(2)13/h6-7,10H,3H2,1-2H3/t6-,7?,10-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Noguchi Institute
Curated by ChEMBL
| Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in C57BL/6 mouse bone marrow derived macrophages assessed as reduction in LPS-stimulate... |
Bioorg Med Chem 26: 3763-3772 (2018)
Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50276378
(CHEMBL4126941)Show InChI InChI=1S/C6H6O3/c7-5-2-1-4-3-8-6(5)9-4/h1-2,4,6H,3H2/t4-,6+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Noguchi Institute
Curated by ChEMBL
| Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in C57BL/6 mouse bone marrow derived macrophages assessed as reduction in LPS-stimulate... |
Bioorg Med Chem 26: 3763-3772 (2018)
Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50593240
(CHEMBL5199677) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00228
BindingDB Entry DOI: 10.7270/Q2H70KTG |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50276376
(CHEMBL4126909)Show InChI InChI=1S/C8H9FO4/c1-5(10)12-3-6-2-7(9)8(11)4-13-6/h2,6H,3-4H2,1H3/t6-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Noguchi Institute
Curated by ChEMBL
| Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in C57BL/6 mouse bone marrow derived macrophages assessed as reduction in LPS-stimulate... |
Bioorg Med Chem 26: 3763-3772 (2018)
Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM50276381
(CHEMBL4128029)Show InChI InChI=1S/C10H14O4/c1-2-3-10(12)14-7-9-5-4-8(11)6-13-9/h4-5,9H,2-3,6-7H2,1H3/t9-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Noguchi Institute
Curated by ChEMBL
| Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in PMA-differentiated human THP1 cells assessed as reduction in LPS-stimulated IL-1beta... |
Bioorg Med Chem 26: 3763-3772 (2018)
Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50276381
(CHEMBL4128029)Show InChI InChI=1S/C10H14O4/c1-2-3-10(12)14-7-9-5-4-8(11)6-13-9/h4-5,9H,2-3,6-7H2,1H3/t9-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Noguchi Institute
Curated by ChEMBL
| Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in C57BL/6 mouse bone marrow derived macrophages assessed as reduction in LPS-stimulate... |
Bioorg Med Chem 26: 3763-3772 (2018)
Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM50276376
(CHEMBL4126909)Show InChI InChI=1S/C8H9FO4/c1-5(10)12-3-6-2-7(9)8(11)4-13-6/h2,6H,3-4H2,1H3/t6-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Noguchi Institute
Curated by ChEMBL
| Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in PMA-differentiated human THP1 cells assessed as reduction in LPS-stimulated IL-1beta... |
Bioorg Med Chem 26: 3763-3772 (2018)
Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM50276377
(CHEMBL4129636)Show SMILES [H][C@@]12CO[C@@]([H])(O1)C(OC(C)=O)=C(F)C2C(C)=O |r,t:12| Show InChI InChI=1S/C10H11FO5/c1-4(12)7-6-3-14-10(16-6)9(8(7)11)15-5(2)13/h6-7,10H,3H2,1-2H3/t6-,7?,10-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Noguchi Institute
Curated by ChEMBL
| Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in PMA-differentiated human THP1 cells assessed as reduction in LPS-stimulated IL-1beta... |
Bioorg Med Chem 26: 3763-3772 (2018)
Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM50276372
(CHEMBL4128176)Show InChI InChI=1S/C8H10O4/c1-6(9)11-5-8-3-2-7(10)4-12-8/h2-3,8H,4-5H2,1H3/t8-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Noguchi Institute
Curated by ChEMBL
| Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in PMA-differentiated human THP1 cells assessed as reduction in LPS-stimulated IL-1beta... |
Bioorg Med Chem 26: 3763-3772 (2018)
Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM50276373
(CHEMBL4125713)Show SMILES [H][C@@]12CO[C@@]([H])(O1)C(=O)C(F)=C2 |r,c:11| Show InChI InChI=1S/C6H5FO3/c7-4-1-3-2-9-6(10-3)5(4)8/h1,3,6H,2H2/t3-,6+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Noguchi Institute
Curated by ChEMBL
| Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in PMA-differentiated human THP1 cells assessed as reduction in LPS-stimulated IL-1beta... |
Bioorg Med Chem 26: 3763-3772 (2018)
Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50593242
(CHEMBL5202250) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00228
BindingDB Entry DOI: 10.7270/Q2H70KTG |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM50276375
(CHEMBL4129407)Show InChI InChI=1S/C14H22O4/c1-2-3-4-5-6-7-14(16)18-11-13-9-8-12(15)10-17-13/h8-9,13H,2-7,10-11H2,1H3/t13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Noguchi Institute
Curated by ChEMBL
| Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in PMA-differentiated human THP1 cells assessed as reduction in LPS-stimulated IL-1beta... |
Bioorg Med Chem 26: 3763-3772 (2018)
Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50276372
(CHEMBL4128176)Show InChI InChI=1S/C8H10O4/c1-6(9)11-5-8-3-2-7(10)4-12-8/h2-3,8H,4-5H2,1H3/t8-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Noguchi Institute
Curated by ChEMBL
| Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in C57BL/6 mouse bone marrow derived macrophages assessed as reduction in LPS-stimulate... |
Bioorg Med Chem 26: 3763-3772 (2018)
Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM50276378
(CHEMBL4126941)Show InChI InChI=1S/C6H6O3/c7-5-2-1-4-3-8-6(5)9-4/h1-2,4,6H,3H2/t4-,6+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Noguchi Institute
Curated by ChEMBL
| Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in PMA-differentiated human THP1 cells assessed as reduction in LPS-stimulated IL-1beta... |
Bioorg Med Chem 26: 3763-3772 (2018)
Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50513743
(CHEMBL4438605)Show SMILES COc1cc2CCN(CCCOc3ccc(C(C)=O)c(O)c3)Cc2cc1OC Show InChI InChI=1S/C22H27NO5/c1-15(24)19-6-5-18(13-20(19)25)28-10-4-8-23-9-7-16-11-21(26-2)22(27-3)12-17(16)14-23/h5-6,11-13,25H,4,7-10,14H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00228
BindingDB Entry DOI: 10.7270/Q2H70KTG |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50276375
(CHEMBL4129407)Show InChI InChI=1S/C14H22O4/c1-2-3-4-5-6-7-14(16)18-11-13-9-8-12(15)10-17-13/h8-9,13H,2-7,10-11H2,1H3/t13-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Noguchi Institute
Curated by ChEMBL
| Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in C57BL/6 mouse bone marrow derived macrophages assessed as reduction in LPS-stimulate... |
Bioorg Med Chem 26: 3763-3772 (2018)
Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50593241
(CHEMBL5188627) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00228
BindingDB Entry DOI: 10.7270/Q2H70KTG |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50513743
(CHEMBL4438605)Show SMILES COc1cc2CCN(CCCOc3ccc(C(C)=O)c(O)c3)Cc2cc1OC Show InChI InChI=1S/C22H27NO5/c1-15(24)19-6-5-18(13-20(19)25)28-10-4-8-23-9-7-16-11-21(26-2)22(27-3)12-17(16)14-23/h5-6,11-13,25H,4,7-10,14H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00228
BindingDB Entry DOI: 10.7270/Q2H70KTG |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50276380
(CHEMBL4127699)Show InChI InChI=1S/C6H8O3/c7-3-6-2-1-5(8)4-9-6/h1-2,6-7H,3-4H2/t6-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Noguchi Institute
Curated by ChEMBL
| Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in C57BL/6 mouse bone marrow derived macrophages assessed as reduction in LPS-stimulate... |
Bioorg Med Chem 26: 3763-3772 (2018)
Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM50276380
(CHEMBL4127699)Show InChI InChI=1S/C6H8O3/c7-3-6-2-1-5(8)4-9-6/h1-2,6-7H,3-4H2/t6-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Noguchi Institute
Curated by ChEMBL
| Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in PMA-differentiated human THP1 cells assessed as reduction in LPS-stimulated IL-1beta... |
Bioorg Med Chem 26: 3763-3772 (2018)
Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50591389
(CHEMBL5179778)Show SMILES CC(C)C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01081
BindingDB Entry DOI: 10.7270/Q2NK3K0J |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50591389
(CHEMBL5179778)Show SMILES CC(C)C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01081
BindingDB Entry DOI: 10.7270/Q2NK3K0J |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50591389
(CHEMBL5179778)Show SMILES CC(C)C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01081
BindingDB Entry DOI: 10.7270/Q2NK3K0J |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Mus musculus) | BDBM50593239
(CHEBI:5637 | CHEMBL12367 | EN300-17866) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00228
BindingDB Entry DOI: 10.7270/Q2H70KTG |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50593242
(CHEMBL5202250) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00228
BindingDB Entry DOI: 10.7270/Q2H70KTG |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50593241
(CHEMBL5188627) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00228
BindingDB Entry DOI: 10.7270/Q2H70KTG |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50593240
(CHEMBL5199677) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00228
BindingDB Entry DOI: 10.7270/Q2H70KTG |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Mus musculus) | BDBM50593239
(CHEBI:5637 | CHEMBL12367 | EN300-17866) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00228
BindingDB Entry DOI: 10.7270/Q2H70KTG |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50276374
(CHEMBL4126946)Show InChI InChI=1S/C6H10O4/c7-2-6-5(9)1-4(8)3-10-6/h5-7,9H,1-3H2/t5-,6+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Noguchi Institute
Curated by ChEMBL
| Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in C57BL/6 mouse bone marrow derived macrophages assessed as reduction in LPS-stimulate... |
Bioorg Med Chem 26: 3763-3772 (2018)
Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Homo sapiens (Human)) | BDBM50276374
(CHEMBL4126946)Show InChI InChI=1S/C6H10O4/c7-2-6-5(9)1-4(8)3-10-6/h5-7,9H,1-3H2/t5-,6+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Noguchi Institute
Curated by ChEMBL
| Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in PMA-differentiated human THP1 cells assessed as reduction in LPS-stimulated IL-1beta... |
Bioorg Med Chem 26: 3763-3772 (2018)
Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX |
More data for this
Ligand-Target Pair | |
NACHT, LRR and PYD domains-containing protein 3
(Mus musculus) | BDBM50276379
(CHEBI:16715 | CHEMBL1234723)Show InChI InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h4-7,9-10H,1-2H2/t4-,5-,6-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
The Noguchi Institute
Curated by ChEMBL
| Assay Description
Inhibition of nigericin-induced NLRP3 inflammasome activation in C57BL/6 mouse bone marrow derived macrophages assessed as reduction in LPS-stimulate... |
Bioorg Med Chem 26: 3763-3772 (2018)
Article DOI: 10.1016/j.bmc.2017.11.041
BindingDB Entry DOI: 10.7270/Q25H7JSX |
More data for this
Ligand-Target Pair | |
Search and Browse
