Found 541 hits with Last Name = 'riganti' and Initial = 'c' 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 |
|---|
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50179280
(1-(4-(6-methoxynaphthalen-1-yl)butyl)-4-methylpipe...)Show InChI InChI=1S/C21H29NO/c1-17-11-14-22(15-12-17)13-4-3-6-18-7-5-8-19-16-20(23-2)9-10-21(18)19/h5,7-10,16-17H,3-4,6,11-15H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Degli Studi di Bari ALDO MORO
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain membrane after 120 mins |
Eur J Med Chem 108: 577-85 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.014
BindingDB Entry DOI: 10.7270/Q22Z17C3 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50146585
(CHEMBL3763396)Show SMILES CC1CCN(CCCCc2cccc3cc(OCCCCCCN4C(=O)c5ccc(cc5C4=O)N(C)C)ccc23)CC1 Show InChI InChI=1S/C36H47N3O3/c1-27-18-22-38(23-19-27)20-8-6-11-28-12-10-13-29-25-31(15-17-32(28)29)42-24-9-5-4-7-21-39-35(40)33-16-14-30(37(2)3)26-34(33)36(39)41/h10,12-17,25-27H,4-9,11,18-24H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50508839
(CHEMBL4579554)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)C(\Cc2ccc(O)c(Br)c2)=N\O)cc1 Show InChI InChI=1S/C17H18BrN3O5S/c18-14-9-12(3-6-16(14)22)10-15(21-24)17(23)20-8-7-11-1-4-13(5-2-11)27(19,25)26/h1-6,9,22,24H,7-8,10H2,(H,20,23)(H2,19,25,26)/b21-15+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50508875
(CHEMBL4449193)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)C(\Cc2ccc(O)cc2)=N\O)cc1 Show InChI InChI=1S/C17H19N3O5S/c18-26(24,25)15-7-3-12(4-8-15)9-10-19-17(22)16(20-23)11-13-1-5-14(21)6-2-13/h1-8,21,23H,9-11H2,(H,19,22)(H2,18,24,25)/b20-16+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50508846
(CHEMBL4434814)Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccccc2)=N\OC2CCCCO2)s1 Show InChI InChI=1S/C16H19N5O5S2/c17-28(23,24)16-20-19-15(27-16)18-14(22)12(10-11-6-2-1-3-7-11)21-26-13-8-4-5-9-25-13/h1-3,6-7,13H,4-5,8-10H2,(H2,17,23,24)(H,18,19,22)/b21-12+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50299711
(4-Cyclohexyl-1-[3-(5-methoxy-1,2,3,4-tetrahydronap...)Show SMILES COc1cccc2C(CCC(=O)N3CCN(CC3)C3CCCCC3)CCCc12 Show InChI InChI=1S/C24H36N2O2/c1-28-23-12-6-10-21-19(7-5-11-22(21)23)13-14-24(27)26-17-15-25(16-18-26)20-8-3-2-4-9-20/h6,10,12,19-20H,2-5,7-9,11,13-18H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Degli Studi di Bari ALDO MORO
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain membrane after 120 mins |
Eur J Med Chem 108: 577-85 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.014
BindingDB Entry DOI: 10.7270/Q22Z17C3 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50508855
(CHEMBL4443809)Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(\Cc2ccc(O)c(Br)c2)=N\O)cc1 Show InChI InChI=1S/C15H14BrN3O5S/c16-12-7-9(1-6-14(12)20)8-13(19-22)15(21)18-10-2-4-11(5-3-10)25(17,23)24/h1-7,20,22H,8H2,(H,18,21)(H2,17,23,24)/b19-13+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50048866
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Rattus norvegicus (Rat)) | BDBM50613242
(CHEMBL5271751) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50508880
(CHEMBL4538681)Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(\Cc2ccc(O)cc2)=N\O)cc1 Show InChI InChI=1S/C15H15N3O5S/c16-24(22,23)13-7-3-11(4-8-13)17-15(20)14(18-21)9-10-1-5-12(19)6-2-10/h1-8,19,21H,9H2,(H,17,20)(H2,16,22,23)/b18-14+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50508840
(CHEMBL4461878)Show InChI InChI=1S/C11H11N5O4S2/c12-22(19,20)11-15-14-10(21-11)13-9(17)8(16-18)6-7-4-2-1-3-5-7/h1-5,18H,6H2,(H2,12,19,20)(H,13,14,17)/b16-8+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 expressed in Escherichia coli by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50613240
(CHEMBL5278003)Show SMILES [I-].C[N+]1=C(\C=C\C=C\C=C2\N(CCCCCC(=O)Nc3ccc4ccn(CCCCN5CCC6(CC5)OCc5ccccc65)c4c3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:1| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50048866
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| | 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50508862
(CHEMBL4468565)Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccc(O)cc2)=N\OCc2ccccc2)s1 Show InChI InChI=1S/C18H17N5O5S2/c19-30(26,27)18-22-21-17(29-18)20-16(25)15(10-12-6-8-14(24)9-7-12)23-28-11-13-4-2-1-3-5-13/h1-9,24H,10-11H2,(H2,19,26,27)(H,20,21,25)/b23-15+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50508864
(CHEMBL4537085)Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccc(O)cc2)=N\OC2CCCCO2)s1 Show InChI InChI=1S/C16H19N5O6S2/c17-29(24,25)16-20-19-15(28-16)18-14(23)12(9-10-4-6-11(22)7-5-10)21-27-13-3-1-2-8-26-13/h4-7,13,22H,1-3,8-9H2,(H2,17,24,25)(H,18,19,23)/b21-12+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50092612
(CHEMBL3586274)Show InChI InChI=1S/C11H14BrN3O5S/c12-8-5-7(1-2-10(8)16)6-9(15-18)11(17)14-3-4-21(13,19)20/h1-2,5,16,18H,3-4,6H2,(H,14,17)(H2,13,19,20)/b15-9+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 expressed in Escherichia coli by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50508846
(CHEMBL4434814)Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccccc2)=N\OC2CCCCO2)s1 Show InChI InChI=1S/C16H19N5O5S2/c17-28(23,24)16-20-19-15(27-16)18-14(22)12(10-11-6-2-1-3-7-11)21-26-13-8-4-5-9-25-13/h1-3,6-7,13H,4-5,8-10H2,(H2,17,23,24)(H,18,19,22)/b21-12+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 expressed in Escherichia coli by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50179269
(1-(4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)...)Show InChI InChI=1S/C21H33NO/c1-17-11-14-22(15-12-17)13-4-3-6-18-7-5-8-19-16-20(23-2)9-10-21(18)19/h9-10,16-18H,3-8,11-15H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Degli Studi di Bari ALDO MORO
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain membrane after 120 mins |
Eur J Med Chem 108: 577-85 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.014
BindingDB Entry DOI: 10.7270/Q22Z17C3 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50508840
(CHEMBL4461878)Show InChI InChI=1S/C11H11N5O4S2/c12-22(19,20)11-15-14-10(21-11)13-9(17)8(16-18)6-7-4-2-1-3-5-7/h1-5,18H,6H2,(H2,12,19,20)(H,13,14,17)/b16-8+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50613231
(CHEMBL5275443)Show SMILES COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CCCCCCCCCCS(=O)(=O)c1cccc2c(cccc12)N(C)C |TLB:12:13:21:16.17.18| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50508840
(CHEMBL4461878)Show InChI InChI=1S/C11H11N5O4S2/c12-22(19,20)11-15-14-10(21-11)13-9(17)8(16-18)6-7-4-2-1-3-5-7/h1-5,18H,6H2,(H2,12,19,20)(H,13,14,17)/b16-8+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 expressed in Escherichia coli GOLD BL21 (DE3) by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50508874
(CHEMBL4470371)Show SMILES NS(=O)(=O)CCNC(=O)C(\Cc1ccccc1)=N\OCc1ccccc1 Show InChI InChI=1S/C18H21N3O4S/c19-26(23,24)12-11-20-18(22)17(13-15-7-3-1-4-8-15)21-25-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,22)(H2,19,23,24)/b21-17+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50508850
(CHEMBL4483677)Show SMILES NS(=O)(=O)c1ccc(CNC(=O)C(\Cc2ccc(O)cc2)=N\OCc2ccccc2)cc1 Show InChI InChI=1S/C23H23N3O5S/c24-32(29,30)21-12-8-18(9-13-21)15-25-23(28)22(14-17-6-10-20(27)11-7-17)26-31-16-19-4-2-1-3-5-19/h1-13,27H,14-16H2,(H,25,28)(H2,24,29,30)/b26-22+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50508840
(CHEMBL4461878)Show InChI InChI=1S/C11H11N5O4S2/c12-22(19,20)11-15-14-10(21-11)13-9(17)8(16-18)6-7-4-2-1-3-5-7/h1-5,18H,6H2,(H2,12,19,20)(H,13,14,17)/b16-8+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50508862
(CHEMBL4468565)Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccc(O)cc2)=N\OCc2ccccc2)s1 Show InChI InChI=1S/C18H17N5O5S2/c19-30(26,27)18-22-21-17(29-18)20-16(25)15(10-12-6-8-14(24)9-7-12)23-28-11-13-4-2-1-3-5-13/h1-9,24H,10-11H2,(H2,19,26,27)(H,20,21,25)/b23-15+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 expressed in Escherichia coli GOLD BL21 (DE3) by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50035131
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari ALDO MORO
Curated by ChEMBL
| Assay Description
Displacement of (+)-[3H]pentazocine from Dunkin guinea pig brain sigma 1 receptor |
J Med Chem 57: 3314-23 (2014)
Article DOI: 10.1021/jm401874n
BindingDB Entry DOI: 10.7270/Q2DB83DF |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50508855
(CHEMBL4443809)Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(\Cc2ccc(O)c(Br)c2)=N\O)cc1 Show InChI InChI=1S/C15H14BrN3O5S/c16-12-7-9(1-6-14(12)20)8-13(19-22)15(21)18-10-2-4-11(5-3-10)25(17,23)24/h1-7,20,22H,8H2,(H,18,21)(H2,17,23,24)/b19-13+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50032403
((Pentazocine) 6,11-Dimethyl-3-(3-methyl-but-2-enyl...)Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3ccc(-[#8])cc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |TLB:16:15:1:10.4.3,9:10:1:15.13.14| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50613236
(CHEMBL5290452)Show SMILES [I-].C[N+]1=C(\C=C\C=C\C=C2/N(CCCCCC(=O)NCCCCCCn3cc(CCCCN4CCC5(CC4)OCc4ccccc54)c4ccccc34)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:1| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50508871
(CHEMBL4560274)Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccccc2)=N\OCc2ccccc2)s1 Show InChI InChI=1S/C18H17N5O4S2/c19-29(25,26)18-22-21-17(28-18)20-16(24)15(11-13-7-3-1-4-8-13)23-27-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,19,25,26)(H,20,21,24)/b23-15+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50508854
(CHEMBL4528840)Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(\Cc2ccccc2)=N\O)cc1 Show InChI InChI=1S/C15H15N3O4S/c16-23(21,22)13-8-6-12(7-9-13)17-15(19)14(18-20)10-11-4-2-1-3-5-11/h1-9,20H,10H2,(H,17,19)(H2,16,21,22)/b18-14+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 expressed in Escherichia coli GOLD BL21 (DE3) by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50508880
(CHEMBL4538681)Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(\Cc2ccc(O)cc2)=N\O)cc1 Show InChI InChI=1S/C15H15N3O5S/c16-24(22,23)13-7-3-11(4-8-13)17-15(20)14(18-21)9-10-1-5-12(19)6-2-10/h1-8,19,21H,9H2,(H,17,20)(H2,16,22,23)/b18-14+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 expressed in Escherichia coli GOLD BL21 (DE3) by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50508867
(CHEMBL4566210)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)C(\Cc2ccccc2)=N\O)cc1 Show InChI InChI=1S/C17H19N3O4S/c18-25(23,24)15-8-6-13(7-9-15)10-11-19-17(21)16(20-22)12-14-4-2-1-3-5-14/h1-9,22H,10-12H2,(H,19,21)(H2,18,23,24)/b20-16+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50146584
(CHEMBL3765740)Show SMILES CC1CCN(CCCCC2CCCc3cc(OCCCCCCN4C(=O)c5ccc(cc5C4=O)N(C)C)ccc23)CC1 Show InChI InChI=1S/C36H51N3O3/c1-27-18-22-38(23-19-27)20-8-6-11-28-12-10-13-29-25-31(15-17-32(28)29)42-24-9-5-4-7-21-39-35(40)33-16-14-30(37(2)3)26-34(33)36(39)41/h14-17,25-28H,4-13,18-24H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Degli Studi di Bari ALDO MORO
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain membrane after 120 mins |
Eur J Med Chem 108: 577-85 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.014
BindingDB Entry DOI: 10.7270/Q22Z17C3 |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Rattus norvegicus (Rat)) | BDBM50613234
(CHEMBL5274668)Show SMILES CN(C)c1ccc2C(=O)N(CCCCCCn3cc(CCCCN4CCC5(CC4)OCc4ccccc54)c4ccccc34)C(=O)c2c1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50613236
(CHEMBL5290452)Show SMILES [I-].C[N+]1=C(\C=C\C=C\C=C2/N(CCCCCC(=O)NCCCCCCn3cc(CCCCN4CCC5(CC4)OCc4ccccc54)c4ccccc34)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:1| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50035131
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Degli Studi di Bari ALDO MORO
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain membrane after 120 mins |
Eur J Med Chem 108: 577-85 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.014
BindingDB Entry DOI: 10.7270/Q22Z17C3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50508837
(CHEMBL4465229)Show InChI InChI=1S/C11H14BrN3O4S/c12-9-3-1-2-8(6-9)7-10(15-17)11(16)14-4-5-20(13,18)19/h1-3,6,17H,4-5,7H2,(H,14,16)(H2,13,18,19)/b15-10+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50508846
(CHEMBL4434814)Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccccc2)=N\OC2CCCCO2)s1 Show InChI InChI=1S/C16H19N5O5S2/c17-28(23,24)16-20-19-15(27-16)18-14(22)12(10-11-6-2-1-3-7-11)21-26-13-8-4-5-9-25-13/h1-3,6-7,13H,4-5,8-10H2,(H2,17,23,24)(H,18,19,22)/b21-12+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 expressed in Escherichia coli GOLD BL21 (DE3) by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50607434
(CHEMBL5218795)Show SMILES COc1cc(\C=C\C(=O)OCCCN(CCCCCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.60 | 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.2c01175
BindingDB Entry DOI: 10.7270/Q2DB85ZF |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50613240
(CHEMBL5278003)Show SMILES [I-].C[N+]1=C(\C=C\C=C\C=C2\N(CCCCCC(=O)Nc3ccc4ccn(CCCCN5CCC6(CC5)OCc5ccccc65)c4c3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:1| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50508871
(CHEMBL4560274)Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccccc2)=N\OCc2ccccc2)s1 Show InChI InChI=1S/C18H17N5O4S2/c19-29(25,26)18-22-21-17(28-18)20-16(24)15(11-13-7-3-1-4-8-13)23-27-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,19,25,26)(H,20,21,24)/b23-15+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 9 expressed in Escherichia coli GOLD BL21 (DE3) by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Rattus norvegicus (Rat)) | BDBM50613238
(CHEMBL5284531)Show SMILES CN(C)c1ccc2C(=O)N(C(=O)c2c1)c1ccc2ccn(CCCCN3CCC4(CC3)OCc3ccccc43)c2c1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50146585
(CHEMBL3763396)Show SMILES CC1CCN(CCCCc2cccc3cc(OCCCCCCN4C(=O)c5ccc(cc5C4=O)N(C)C)ccc23)CC1 Show InChI InChI=1S/C36H47N3O3/c1-27-18-22-38(23-19-27)20-8-6-11-28-12-10-13-29-25-31(15-17-32(28)29)42-24-9-5-4-7-21-39-35(40)33-16-14-30(37(2)3)26-34(33)36(39)41/h10,12-17,25-27H,4-9,11,18-24H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Degli Studi di Bari ALDO MORO
Curated by ChEMBL
| Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain membrane after 120 mins |
Eur J Med Chem 108: 577-85 (2016)
Article DOI: 10.1016/j.ejmech.2015.12.014
BindingDB Entry DOI: 10.7270/Q22Z17C3 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50607432
(CHEMBL5220025)Show SMILES COc1cc(\C=C\C(=O)OCCCCCCCN(CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CCCOc2ccc3ccc(=O)oc3c2)cc(OC)c1OC | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.20 | 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.2c01175
BindingDB Entry DOI: 10.7270/Q2DB85ZF |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50613229
(CHEMBL5272035)Show SMILES CN(C)c1ccc2C(=O)N(Oc3cccc4C(CCCN5CCN(CC5)C5CCCCC5)CCCc34)C(=O)c2c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50012204
(CHEMBL3259962)Show SMILES CN(C)c1ccc2C(=O)N(CCCCCCOc3cccc4C(CCCN5CCN(CC5)C5CCCCC5)CCCc34)C(=O)c2c1 Show InChI InChI=1S/C39H56N4O3/c1-40(2)32-20-21-35-36(29-32)39(45)43(38(35)44)23-8-3-4-9-28-46-37-19-11-17-33-30(13-10-18-34(33)37)14-12-22-41-24-26-42(27-25-41)31-15-6-5-7-16-31/h11,17,19-21,29-31H,3-10,12-16,18,22-28H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari ALDO MORO
Curated by ChEMBL
| Assay Description
Displacement of (+)-[3H]pentazocine from Dunkin guinea pig brain sigma 1 receptor |
J Med Chem 57: 3314-23 (2014)
Article DOI: 10.1021/jm401874n
BindingDB Entry DOI: 10.7270/Q2DB83DF |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50508862
(CHEMBL4468565)Show SMILES NS(=O)(=O)c1nnc(NC(=O)C(\Cc2ccc(O)cc2)=N\OCc2ccccc2)s1 Show InChI InChI=1S/C18H17N5O5S2/c19-30(26,27)18-22-21-17(29-18)20-16(25)15(10-12-6-8-14(24)9-7-12)23-28-11-13-4-2-1-3-5-13/h1-9,24H,10-11H2,(H2,19,26,27)(H,20,21,25)/b23-15+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 expressed in Escherichia coli by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50508852
(CHEMBL4590379)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)C(\Cc2cccc(Br)c2)=N\O)cc1 Show InChI InChI=1S/C17H18BrN3O4S/c18-14-3-1-2-13(10-14)11-16(21-23)17(22)20-9-8-12-4-6-15(7-5-12)26(19,24)25/h1-7,10,23H,8-9,11H2,(H,20,22)(H2,19,24,25)/b21-16+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) by stopped-flow CO2 hydration assay |
J Med Chem 62: 4174-4192 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00282
BindingDB Entry DOI: 10.7270/Q20868M1 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 5.70 | 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.2c01175
BindingDB Entry DOI: 10.7270/Q2DB85ZF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Search and Browse
