Found 509 hits with Last Name = 'barresi' and Initial = 'e' 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 |
|---|
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM21221
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membrane after 90 mins |
Eur J Med Chem 69: 331-7 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.001
BindingDB Entry DOI: 10.7270/Q28918TN |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM21221
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Displacement of [125I]AB-MECA from human A3 adenosine receptor expressed in CHO cell membrane |
J Med Chem 55: 1490-9 (2012)
Article DOI: 10.1021/jm201177b
BindingDB Entry DOI: 10.7270/Q2CR5VCS |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50011484
(CHEMBL3261894)Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 Show InChI InChI=1S/C24H20ClN3O/c1-2-28(16-17-10-4-3-5-11-17)24(29)23-26-21-15-9-7-13-19(21)22(27-23)18-12-6-8-14-20(18)25/h3-15H,2,16H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.235 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes |
J Med Chem 57: 2413-28 (2014)
Article DOI: 10.1021/jm401721h
BindingDB Entry DOI: 10.7270/Q2416ZKP |
More data for this
Ligand-Target Pair | |
Translocator protein
(Homo sapiens (Human)) | BDBM50421116
(CHEMBL2088374)Show SMILES COc1ccc(cc1)-c1ccc2oc(=O)n(CC(=O)N(C)c3ccccc3)c2c1 Show InChI InChI=1S/C23H20N2O4/c1-24(18-6-4-3-5-7-18)22(26)15-25-20-14-17(10-13-21(20)29-23(25)27)16-8-11-19(28-2)12-9-16/h3-14H,15H2,1-2H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50104776
(CHEMBL3597377)Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1 Show InChI InChI=1S/C26H26N2O2/c1-3-15-28(16-4-2)26(30)25(29)23-21-11-7-8-12-22(21)27-24(23)20-14-13-18-9-5-6-10-19(18)17-20/h5-14,17,27H,3-4,15-16H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes |
J Med Chem 58: 6081-92 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50104772
(CHEMBL3597381)Show SMILES CCCCCN(C)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1 Show InChI InChI=1S/C26H26N2O2/c1-3-4-9-16-28(2)26(30)25(29)23-21-12-7-8-13-22(21)27-24(23)20-15-14-18-10-5-6-11-19(18)17-20/h5-8,10-15,17,27H,3-4,9,16H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes |
J Med Chem 58: 6081-92 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50011498
(CHEMBL3261908)Show SMILES CN(Cc1ccccc1)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C24H19ClN2O/c1-27(16-17-9-3-2-4-10-17)24(28)22-15-18-11-5-6-12-19(18)23(26-22)20-13-7-8-14-21(20)25/h2-15H,16H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.442 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes |
J Med Chem 57: 2413-28 (2014)
Article DOI: 10.1021/jm401721h
BindingDB Entry DOI: 10.7270/Q2416ZKP |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50011495
(CHEMBL3261905)Show SMILES CCN(Cc1ccc(C)cc1)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 Show InChI InChI=1S/C25H22ClN3O/c1-3-29(16-18-14-12-17(2)13-15-18)25(30)24-27-22-11-7-5-9-20(22)23(28-24)19-8-4-6-10-21(19)26/h4-15H,3,16H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.489 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes |
J Med Chem 57: 2413-28 (2014)
Article DOI: 10.1021/jm401721h
BindingDB Entry DOI: 10.7270/Q2416ZKP |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human A1 adenosine receptor expressed in CHO cell membrane |
J Med Chem 55: 1490-9 (2012)
Article DOI: 10.1021/jm201177b
BindingDB Entry DOI: 10.7270/Q2CR5VCS |
More data for this
Ligand-Target Pair | |
Translocator protein
(Homo sapiens (Human)) | BDBM22041
(2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridi...)Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM21173
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membrane after 180 mins |
Eur J Med Chem 69: 331-7 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.001
BindingDB Entry DOI: 10.7270/Q28918TN |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50588817
(CHEMBL5193551)Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(OC)cc1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50104770
(CHEMBL3597383)Show SMILES CCN(Cc1ccccc1)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1 Show InChI InChI=1S/C29H24N2O2/c1-2-31(19-20-10-4-3-5-11-20)29(33)28(32)26-24-14-8-9-15-25(24)30-27(26)23-17-16-21-12-6-7-13-22(21)18-23/h3-18,30H,2,19H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes |
J Med Chem 58: 6081-92 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50104771
(CHEMBL3597382)Show SMILES CCCCN(CC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1 Show InChI InChI=1S/C26H26N2O2/c1-3-5-16-28(4-2)26(30)25(29)23-21-12-8-9-13-22(21)27-24(23)20-15-14-18-10-6-7-11-19(18)17-20/h6-15,17,27H,3-5,16H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes |
J Med Chem 58: 6081-92 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50104774
(CHEMBL3597379)Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1 Show InChI InChI=1S/C32H38N2O2/c1-3-5-7-13-21-34(22-14-8-6-4-2)32(36)31(35)29-27-17-11-12-18-28(27)33-30(29)26-20-19-24-15-9-10-16-25(24)23-26/h9-12,15-20,23,33H,3-8,13-14,21-22H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes |
J Med Chem 58: 6081-92 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50104779
(CHEMBL3597374)Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H28N2O2/c1-3-18-30(19-4-2)28(32)27(31)25-23-12-8-9-13-24(23)29-26(25)22-16-14-21(15-17-22)20-10-6-5-7-11-20/h5-17,29H,3-4,18-19H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes |
J Med Chem 58: 6081-92 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50104775
(CHEMBL3597378)Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1 Show InChI InChI=1S/C28H30N2O2/c1-3-5-17-30(18-6-4-2)28(32)27(31)25-23-13-9-10-14-24(23)29-26(25)22-16-15-20-11-7-8-12-21(20)19-22/h7-16,19,29H,3-6,17-18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes |
J Med Chem 58: 6081-92 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50341403
(CHEMBL4173265)Show InChI InChI=1S/C14H14N4O3S/c15-22(20,21)10-6-4-9(5-7-10)17-14-16-8-11-12(18-14)2-1-3-13(11)19/h4-8H,1-3H2,(H2,15,20,21)(H,16,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
J Med Chem 61: 5765-5770 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00670
BindingDB Entry DOI: 10.7270/Q2DB84F9 |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50104773
(CHEMBL3597380)Show SMILES CCCCN(C)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc2ccccc2c1 Show InChI InChI=1S/C25H24N2O2/c1-3-4-15-27(2)25(29)24(28)22-20-11-7-8-12-21(20)26-23(22)19-14-13-17-9-5-6-10-18(17)16-19/h5-14,16,26H,3-4,15H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes |
J Med Chem 58: 6081-92 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50341402
(CHEMBL4167173)Show InChI InChI=1S/C15H13N5O2S/c16-23(21,22)12-4-2-11(3-5-12)20-15-10(7-19-20)1-6-14-13(15)8-17-9-18-14/h2-5,7-9H,1,6H2,(H2,16,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
J Med Chem 61: 5765-5770 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00670
BindingDB Entry DOI: 10.7270/Q2DB84F9 |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50011494
(CHEMBL3261904)Show SMILES CCN(Cc1ccc(C)cc1)C(=O)c1nc(-c2ccccc2F)c2ccccc2n1 Show InChI InChI=1S/C25H22FN3O/c1-3-29(16-18-14-12-17(2)13-15-18)25(30)24-27-22-11-7-5-9-20(22)23(28-24)19-8-4-6-10-21(19)26/h4-15H,3,16H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes |
J Med Chem 57: 2413-28 (2014)
Article DOI: 10.1021/jm401721h
BindingDB Entry DOI: 10.7270/Q2416ZKP |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50341401
(CHEMBL4165351)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc2c1CC(CC2=O)c1ccccc1 Show InChI InChI=1S/C19H17N3O3S/c20-26(24,25)16-8-6-15(7-9-16)22-18-10-14(13-4-2-1-3-5-13)11-19(23)17(18)12-21-22/h1-9,12,14H,10-11H2,(H2,20,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
J Med Chem 61: 5765-5770 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00670
BindingDB Entry DOI: 10.7270/Q2DB84F9 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50341401
(CHEMBL4165351)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc2c1CC(CC2=O)c1ccccc1 Show InChI InChI=1S/C19H17N3O3S/c20-26(24,25)16-8-6-15(7-9-16)22-18-10-14(13-4-2-1-3-5-13)11-19(23)17(18)12-21-22/h1-9,12,14H,10-11H2,(H2,20,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50011486
(CHEMBL3261896)Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1 Show InChI InChI=1S/C24H20ClN3O/c1-2-28(16-17-8-4-3-5-9-17)24(29)23-26-21-11-7-6-10-20(21)22(27-23)18-12-14-19(25)15-13-18/h3-15H,2,16H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.762 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes |
J Med Chem 57: 2413-28 (2014)
Article DOI: 10.1021/jm401721h
BindingDB Entry DOI: 10.7270/Q2416ZKP |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50341405
(CHEMBL4169838)Show SMILES NS(=O)(=O)c1ccc(Nc2ncc3C(=O)CC(Cc3n2)c2ccccc2)cc1 Show InChI InChI=1S/C20H18N4O3S/c21-28(26,27)16-8-6-15(7-9-16)23-20-22-12-17-18(24-20)10-14(11-19(17)25)13-4-2-1-3-5-13/h1-9,12,14H,10-11H2,(H2,21,26,27)(H,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
J Med Chem 61: 5765-5770 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00670
BindingDB Entry DOI: 10.7270/Q2DB84F9 |
More data for this
Ligand-Target Pair | |
Translocator protein
(Bos taurus) | BDBM50019213
(1,3-dihydro-7-nitro-5-(2-chlorophenyl)-2H-1,4.benz...)Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1 |t:11| Show InChI InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
DrugBank
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.850 | 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.0c01808
BindingDB Entry DOI: 10.7270/Q2SF316G |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50341404
(CHEMBL4169089)Show SMILES CC1(C)Cc2c(cnn2-c2ccc(cc2)S(N)(=O)=O)C(=O)C1 Show InChI InChI=1S/C15H17N3O3S/c1-15(2)7-13-12(14(19)8-15)9-17-18(13)10-3-5-11(6-4-10)22(16,20)21/h3-6,9H,7-8H2,1-2H3,(H2,16,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
J Med Chem 61: 5765-5770 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00670
BindingDB Entry DOI: 10.7270/Q2DB84F9 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50341404
(CHEMBL4169089)Show SMILES CC1(C)Cc2c(cnn2-c2ccc(cc2)S(N)(=O)=O)C(=O)C1 Show InChI InChI=1S/C15H17N3O3S/c1-15(2)7-13-12(14(19)8-15)9-17-18(13)10-3-5-11(6-4-10)22(16,20)21/h3-6,9H,7-8H2,1-2H3,(H2,16,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50011483
(CHEMBL3261893)Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2F)c2ccccc2n1 Show InChI InChI=1S/C24H20FN3O/c1-2-28(16-17-10-4-3-5-11-17)24(29)23-26-21-15-9-7-13-19(21)22(27-23)18-12-6-8-14-20(18)25/h3-15H,2,16H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.888 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes |
J Med Chem 57: 2413-28 (2014)
Article DOI: 10.1021/jm401721h
BindingDB Entry DOI: 10.7270/Q2416ZKP |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50341400
(CHEMBL4161917)Show SMILES CC1(C)CC(=O)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc2C1 Show InChI InChI=1S/C16H18N4O3S/c1-16(2)7-13-12(14(21)8-16)9-18-15(20-13)19-10-3-5-11(6-4-10)24(17,22)23/h3-6,9H,7-8H2,1-2H3,(H2,17,22,23)(H,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
J Med Chem 61: 5765-5770 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00670
BindingDB Entry DOI: 10.7270/Q2DB84F9 |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50104780
(CHEMBL3597373)Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccsc1 Show InChI InChI=1S/C26H34N2O2S/c1-3-5-7-11-16-28(17-12-8-6-4-2)26(30)25(29)23-21-13-9-10-14-22(21)27-24(23)20-15-18-31-19-20/h9-10,13-15,18-19,27H,3-8,11-12,16-17H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes |
J Med Chem 58: 6081-92 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH |
More data for this
Ligand-Target Pair | |
Translocator protein
(Bos taurus) | BDBM50000766
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 0.900 | 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.0c01808
BindingDB Entry DOI: 10.7270/Q2SF316G |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM22032
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50011497
(CHEMBL3261907)Show SMILES CN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2F)c2ccccc2n1 Show InChI InChI=1S/C23H18FN3O/c1-27(15-16-9-3-2-4-10-16)23(28)22-25-20-14-8-6-12-18(20)21(26-22)17-11-5-7-13-19(17)24/h2-14H,15H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes |
J Med Chem 57: 2413-28 (2014)
Article DOI: 10.1021/jm401721h
BindingDB Entry DOI: 10.7270/Q2416ZKP |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50011481
(CHEMBL3261891)Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C24H21N3O/c1-2-27(17-18-11-5-3-6-12-18)24(28)23-25-21-16-10-9-15-20(21)22(26-23)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes |
J Med Chem 57: 2413-28 (2014)
Article DOI: 10.1021/jm401721h
BindingDB Entry DOI: 10.7270/Q2416ZKP |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50104782
(CHEMBL3597371)Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccsc1 Show InChI InChI=1S/C20H22N2O2S/c1-3-10-22(11-4-2)20(24)19(23)17-15-7-5-6-8-16(15)21-18(17)14-9-12-25-13-14/h5-9,12-13,21H,3-4,10-11H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes |
J Med Chem 58: 6081-92 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50011487
(CHEMBL3261897)Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccc(C)cc2)c2ccccc2n1 Show InChI InChI=1S/C25H23N3O/c1-3-28(17-19-9-5-4-6-10-19)25(29)24-26-22-12-8-7-11-21(22)23(27-24)20-15-13-18(2)14-16-20/h4-16H,3,17H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes |
J Med Chem 57: 2413-28 (2014)
Article DOI: 10.1021/jm401721h
BindingDB Entry DOI: 10.7270/Q2416ZKP |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50011485
(CHEMBL3261895)Show SMILES CCN(Cc1ccccc1)C(=O)c1nc(-c2ccc(F)cc2)c2ccccc2n1 Show InChI InChI=1S/C24H20FN3O/c1-2-28(16-17-8-4-3-5-9-17)24(29)23-26-21-11-7-6-10-20(21)22(27-23)18-12-14-19(25)15-13-18/h3-15H,2,16H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes |
J Med Chem 57: 2413-28 (2014)
Article DOI: 10.1021/jm401721h
BindingDB Entry DOI: 10.7270/Q2416ZKP |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50601464
(CHEMBL5195850)Show SMILES CCN(CC)c1ccc(\C=C\c2ccccc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.80 | 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.0c01808
BindingDB Entry DOI: 10.7270/Q2SF316G |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50104777
(CHEMBL3597376)Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C34H40N2O2/c1-3-5-7-14-24-36(25-15-8-6-4-2)34(38)33(37)31-29-18-12-13-19-30(29)35-32(31)28-22-20-27(21-23-28)26-16-10-9-11-17-26/h9-13,16-23,35H,3-8,14-15,24-25H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes |
J Med Chem 58: 6081-92 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50143225
(CHEMBL300762 | N,N-Dibutyl-2-[5-chloro-2-(4-chloro...)Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H26Cl2N2O2/c1-3-5-13-28(14-6-4-2)24(30)23(29)21-19-15-18(26)11-12-20(19)27-22(21)16-7-9-17(25)10-8-16/h7-12,15,27H,3-6,13-14H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | 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.0c01808
BindingDB Entry DOI: 10.7270/Q2SF316G |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50011488
(CHEMBL3261898)Show SMILES CCN(Cc1ccc(C)cc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C25H23N3O/c1-3-28(17-19-15-13-18(2)14-16-19)25(29)24-26-22-12-8-7-11-21(22)23(27-24)20-9-5-4-6-10-20/h4-16H,3,17H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes |
J Med Chem 57: 2413-28 (2014)
Article DOI: 10.1021/jm401721h
BindingDB Entry DOI: 10.7270/Q2416ZKP |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50104784
(CHEMBL3597369)Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)C(=O)OC Show InChI InChI=1S/C26H30N2O4/c1-4-6-16-28(17-7-5-2)25(30)24(29)22-20-10-8-9-11-21(20)27-23(22)18-12-14-19(15-13-18)26(31)32-3/h8-15,27H,4-7,16-17H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes |
J Med Chem 58: 6081-92 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50104781
(CHEMBL3597372)Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccsc1 Show InChI InChI=1S/C22H26N2O2S/c1-3-5-12-24(13-6-4-2)22(26)21(25)19-17-9-7-8-10-18(17)23-20(19)16-11-14-27-15-16/h7-11,14-15,23H,3-6,12-13H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes |
J Med Chem 58: 6081-92 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50011489
(CHEMBL3261899)Show SMILES CCN(Cc1ccc(OC)cc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C25H23N3O2/c1-3-28(17-18-13-15-20(30-2)16-14-18)25(29)24-26-22-12-8-7-11-21(22)23(27-24)19-9-5-4-6-10-19/h4-16H,3,17H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes |
J Med Chem 57: 2413-28 (2014)
Article DOI: 10.1021/jm401721h
BindingDB Entry DOI: 10.7270/Q2416ZKP |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50104785
(CHEMBL3597368)Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)C(=O)OC Show InChI InChI=1S/C24H26N2O4/c1-4-14-26(15-5-2)23(28)22(27)20-18-8-6-7-9-19(18)25-21(20)16-10-12-17(13-11-16)24(29)30-3/h6-13,25H,4-5,14-15H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes |
J Med Chem 58: 6081-92 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50104783
(CHEMBL3597370)Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(cc1)C(=O)OC Show InChI InChI=1S/C30H38N2O4/c1-4-6-8-12-20-32(21-13-9-7-5-2)29(34)28(33)26-24-14-10-11-15-25(24)31-27(26)22-16-18-23(19-17-22)30(35)36-3/h10-11,14-19,31H,4-9,12-13,20-21H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes |
J Med Chem 58: 6081-92 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00689
BindingDB Entry DOI: 10.7270/Q20003WH |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50180870
(CHEMBL179861)Show InChI InChI=1S/C20H19ClN2O/c1-3-13(2)22-20(24)18-12-14-8-4-5-9-15(14)19(23-18)16-10-6-7-11-17(16)21/h4-13H,3H2,1-2H3,(H,22,24) | PDB
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UniProtKB/SwissProt
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| Purchase
CHEMBL
MMDB
PC cid
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UniChem
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Similars
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membrane after 90 mins by liquid scintillation counting method |
J Med Chem 59: 4526-38 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01767
BindingDB Entry DOI: 10.7270/Q2NV9M6P |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50011492
(CHEMBL3261902)Show SMILES CCOC(=O)c1ccc(CN(CC)C(=O)c2nc(-c3ccccc3)c3ccccc3n2)cc1 Show InChI InChI=1S/C27H25N3O3/c1-3-30(18-19-14-16-21(17-15-19)27(32)33-4-2)26(31)25-28-23-13-9-8-12-22(23)24(29-25)20-10-6-5-7-11-20/h5-17H,3-4,18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes |
J Med Chem 57: 2413-28 (2014)
Article DOI: 10.1021/jm401721h
BindingDB Entry DOI: 10.7270/Q2416ZKP |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50011496
(CHEMBL3261906)Show SMILES CN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 Show InChI InChI=1S/C23H19N3O/c1-26(16-17-10-4-2-5-11-17)23(27)22-24-20-15-9-8-14-19(20)21(25-22)18-12-6-3-7-13-18/h2-15H,16H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Salerno
Curated by ChEMBL
| Assay Description
Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes |
J Med Chem 57: 2413-28 (2014)
Article DOI: 10.1021/jm401721h
BindingDB Entry DOI: 10.7270/Q2416ZKP |
More data for this
Ligand-Target Pair | |
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