Found 620 hits with Last Name = 'lucarini' 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 A2a
(Homo sapiens (Human)) | BDBM50505384
![PNG](/data/jpeg/tenK5050/BindingDB_50505384.png) (CHEMBL4457393)Show SMILES COc1c(C)cc(cc1C)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1 Show InChI InChI=1S/C20H19N5O2/c1-12-9-14(10-13(2)17(12)27-3)16-11-24-19(18(21)22-16)23-25(20(24)26)15-7-5-4-6-8-15/h4-11H,1-3H3,(H2,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes by radioligand competition assay |
J Med Chem 62: 8511-8531 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00778 BindingDB Entry DOI: 10.7270/Q2ST7T4D |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50408526
![PNG](/data/jpeg/tenK5040/BindingDB_50408526.png) (CHEMBL4163381)Show SMILES [#6]-[#6](=O)-[#8]-c1ccccc1-[#6](=O)-[#7]-c1ccc([Se;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C22H20N2O5SSe/c1-15(25)29-21-5-3-2-4-20(21)22(26)24-17-8-12-19(13-9-17)31-14-16-6-10-18(11-7-16)30(23,27)28/h2-13H,14H2,1H3,(H,24,26)(H2,23,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
Eur J Med Chem 154: 210-219 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.026 BindingDB Entry DOI: 10.7270/Q2VX0K2M |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50505386
![PNG](/data/jpeg/tenK5050/BindingDB_50505386.png) (CHEMBL4442908)Show SMILES NCCC(=O)Nc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1 Show InChI InChI=1S/C20H19N7O2/c21-11-10-17(28)23-14-8-6-13(7-9-14)16-12-26-19(18(22)24-16)25-27(20(26)29)15-4-2-1-3-5-15/h1-9,12H,10-11,21H2,(H2,22,24)(H,23,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes by radioligand competition assay |
J Med Chem 62: 8511-8531 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00778 BindingDB Entry DOI: 10.7270/Q2ST7T4D |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50556532
![PNG](/data/jpeg/tenK5055/BindingDB_50556532.png) (CHEMBL4753891)Show SMILES Cc1c(Br)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 0.790 | 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.2c00582 BindingDB Entry DOI: 10.7270/Q2NV9PB9 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50408526
![PNG](/data/jpeg/tenK5040/BindingDB_50408526.png) (CHEMBL4163381)Show SMILES [#6]-[#6](=O)-[#8]-c1ccccc1-[#6](=O)-[#7]-c1ccc([Se;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C22H20N2O5SSe/c1-15(25)29-21-5-3-2-4-20(21)22(26)24-17-8-12-19(13-9-17)31-14-16-6-10-18(11-7-16)30(23,27)28/h2-13H,14H2,1H3,(H,24,26)(H2,23,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
Eur J Med Chem 154: 210-219 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.026 BindingDB Entry DOI: 10.7270/Q2VX0K2M |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50408524
![PNG](/data/jpeg/tenK5040/BindingDB_50408524.png) (CHEMBL4174088)Show SMILES NS(=O)(=O)c1ccc(C[Se]c2ccc(NC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cc2)cc1 Show InChI InChI=1S/C34H25N3O7S2Se/c35-46(42,43)24-8-1-19(2-9-24)18-47-25-10-3-20(4-11-25)36-34(45)37-21-5-12-26(29(15-21)33(40)41)32-27-13-6-22(38)16-30(27)44-31-17-23(39)7-14-28(31)32/h1-17,38H,18H2,(H,40,41)(H2,35,42,43)(H2,36,37,45) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.940 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
Eur J Med Chem 154: 210-219 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.026 BindingDB Entry DOI: 10.7270/Q2VX0K2M |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50408531
![PNG](/data/jpeg/tenK5040/BindingDB_50408531.png) (CHEMBL4166037)Show InChI InChI=1S/C8H8N2O2SSe/c9-6-14-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5H2,(H2,10,11,12) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
Eur J Med Chem 154: 210-219 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.026 BindingDB Entry DOI: 10.7270/Q2VX0K2M |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50528492
![PNG](/data/jpeg/tenK5052/BindingDB_50528492.png) (CHEMBL4557250)Show SMILES Nc1nc(SCc2cccc(CO)c2)c(C#N)c(-c2ccco2)c1C#N Show InChI InChI=1S/C19H14N4O2S/c20-8-14-17(16-5-2-6-25-16)15(9-21)19(23-18(14)22)26-11-13-4-1-3-12(7-13)10-24/h1-7,24H,10-11H2,(H2,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membranes measured after 90 mins by scintillation counting method |
J Med Chem 62: 6894-6912 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00106 BindingDB Entry DOI: 10.7270/Q2PC35TK |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50528505
![PNG](/data/jpeg/tenK5052/BindingDB_50528505.png) (CHEMBL4521115)Show SMILES Nc1nc(SCc2cccc(c2)C#N)c(C#N)c(-c2ccco2)c1C#N Show InChI InChI=1S/C19H11N5OS/c20-8-12-3-1-4-13(7-12)11-26-19-15(10-22)17(16-5-2-6-25-16)14(9-21)18(23)24-19/h1-7H,11H2,(H2,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membranes measured after 90 mins by scintillation counting method |
J Med Chem 62: 6894-6912 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00106 BindingDB Entry DOI: 10.7270/Q2PC35TK |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM21173
![PNG](/data/jpeg/tenK2/BindingDB_21173.png) (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 ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membranes measured after 90 mins by scintillation counting method |
J Med Chem 62: 6894-6912 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00106 BindingDB Entry DOI: 10.7270/Q2PC35TK |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50528495
![PNG](/data/jpeg/tenK5052/BindingDB_50528495.png) (CHEMBL4521162)Show SMILES COC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3cccnc3)c2C#N)c1 Show InChI InChI=1S/C21H15N5O2S/c1-28-21(27)14-5-2-4-13(8-14)12-29-20-17(10-23)18(15-6-3-7-25-11-15)16(9-22)19(24)26-20/h2-8,11H,12H2,1H3,(H2,24,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membranes measured after 90 mins by scintillation counting method |
J Med Chem 62: 6894-6912 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00106 BindingDB Entry DOI: 10.7270/Q2PC35TK |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50528487
![PNG](/data/jpeg/tenK5052/BindingDB_50528487.png) (CHEMBL4581984)Show SMILES NC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3ccco3)c2C#N)c1 Show InChI InChI=1S/C19H13N5O2S/c20-8-13-16(15-5-2-6-26-15)14(9-21)19(24-17(13)22)27-10-11-3-1-4-12(7-11)18(23)25/h1-7H,10H2,(H2,22,24)(H2,23,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membranes measured after 90 mins by scintillation counting method |
J Med Chem 62: 6894-6912 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00106 BindingDB Entry DOI: 10.7270/Q2PC35TK |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50601131
![PNG](/data/jpeg/tenK5060/BindingDB_50601131.png) (CHEMBL5193398)Show SMILES Cc1c(Br)cn(CCCc2cn(CCCCCn3c(C)c(Br)cc(C(=O)NC4CCCCCC4)c3=O)nn2)c(=O)c1NC(=O)C1CCCCCC1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 1.40 | 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.2c00582 BindingDB Entry DOI: 10.7270/Q2NV9PB9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50528488
![PNG](/data/jpeg/tenK5052/BindingDB_50528488.png) (CHEMBL4440752)Show InChI InChI=1S/C17H11N5OS/c18-7-12-15(14-4-2-6-23-14)13(8-19)17(22-16(12)20)24-10-11-3-1-5-21-9-11/h1-6,9H,10H2,(H2,20,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membranes measured after 90 mins by scintillation counting method |
J Med Chem 62: 6894-6912 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00106 BindingDB Entry DOI: 10.7270/Q2PC35TK |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50556532
![PNG](/data/jpeg/tenK5055/BindingDB_50556532.png) (CHEMBL4753891)Show SMILES Cc1c(Br)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50408243
![PNG](/data/jpeg/tenK5040/BindingDB_50408243.png) (CHEMBL4167276)Show SMILES [#7]-c1ccc([Se;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C13H14N2O2SSe/c14-11-3-7-13(8-4-11)19-9-10-1-5-12(6-2-10)18(15,16)17/h1-8H,9,14H2,(H2,15,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
Eur J Med Chem 154: 210-219 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.026 BindingDB Entry DOI: 10.7270/Q2VX0K2M |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50556542
![PNG](/data/jpeg/tenK5055/BindingDB_50556542.png) (CHEMBL4780771)Show SMILES Cc1nc(OCc2ccc(F)cc2)c(cc1Br)C(=O)NC1CCCCCC1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21281
![PNG](/data/jpeg/tenK2/BindingDB_21281.png) ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50408534
![PNG](/data/jpeg/tenK5040/BindingDB_50408534.png) (CHEMBL4162595)Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-c2ccccc2)cc1 Show InChI InChI=1S/C13H13NO2SSe/c14-17(15,16)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,14,15,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
Eur J Med Chem 154: 210-219 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.026 BindingDB Entry DOI: 10.7270/Q2VX0K2M |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50505387
![PNG](/data/jpeg/tenK5050/BindingDB_50505387.png) (CHEMBL4452162)Show SMILES Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)C=C)cc1 Show InChI InChI=1S/C20H16N6O2/c1-2-17(27)22-14-10-8-13(9-11-14)16-12-25-19(18(21)23-16)24-26(20(25)28)15-6-4-3-5-7-15/h2-12H,1H2,(H2,21,23)(H,22,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes by radioligand competition assay |
J Med Chem 62: 8511-8531 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00778 BindingDB Entry DOI: 10.7270/Q2ST7T4D |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50601132
![PNG](/data/jpeg/tenK5060/BindingDB_50601132.png) (CHEMBL5204176)Show SMILES Cc1nc(OCCCCCn2cc(CCCn3cc(Br)c(C)c(NC(=O)C4CCCCCC4)c3=O)nn2)c(cc1Br)C(=O)NC1CCCCCC1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| 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.2c00582 BindingDB Entry DOI: 10.7270/Q2NV9PB9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50528498
![PNG](/data/jpeg/tenK5052/BindingDB_50528498.png) (CHEMBL4562453)Show SMILES COC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3ccoc3)c2C#N)c1 Show InChI InChI=1S/C20H14N4O3S/c1-26-20(25)13-4-2-3-12(7-13)11-28-19-16(9-22)17(14-5-6-27-10-14)15(8-21)18(23)24-19/h2-7,10H,11H2,1H3,(H2,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membranes measured after 90 mins by scintillation counting method |
J Med Chem 62: 6894-6912 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00106 BindingDB Entry DOI: 10.7270/Q2PC35TK |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50505400
![PNG](/data/jpeg/tenK5050/BindingDB_50505400.png) (CHEMBL4447113)Show SMILES COc1ccc(c(OC)c1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1 Show InChI InChI=1S/C19H17N5O3/c1-26-13-8-9-14(16(10-13)27-2)15-11-23-18(17(20)21-15)22-24(19(23)25)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes by radioligand competition assay |
J Med Chem 62: 8511-8531 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00778 BindingDB Entry DOI: 10.7270/Q2ST7T4D |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50505390
![PNG](/data/jpeg/tenK5050/BindingDB_50505390.png) (CHEMBL4447993)Show SMILES Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(OCCNC(=O)CCCCC2CCSS2)cc1 Show InChI InChI=1S/C27H30N6O3S2/c28-25-26-31-33(20-6-2-1-3-7-20)27(35)32(26)18-23(30-25)19-10-12-21(13-11-19)36-16-15-29-24(34)9-5-4-8-22-14-17-37-38-22/h1-3,6-7,10-13,18,22H,4-5,8-9,14-17H2,(H2,28,30)(H,29,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| KEGG 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 |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes by radioligand competition assay |
J Med Chem 62: 8511-8531 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00778 BindingDB Entry DOI: 10.7270/Q2ST7T4D |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM10880
![PNG](/data/jpeg/tenK1/BindingDB_10880.png) (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 ![](/images/AffyNet_logo.png)
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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| DrugBank PDB Article PubMed
| 2.5 | 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.2021.113956 BindingDB Entry DOI: 10.7270/Q2X06C4M |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM10880
![PNG](/data/jpeg/tenK1/BindingDB_10880.png) (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 ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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| DrugBank PDB Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
Eur J Med Chem 154: 210-219 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.026 BindingDB Entry DOI: 10.7270/Q2VX0K2M |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50505393
![PNG](/data/jpeg/tenK5050/BindingDB_50505393.png) (CHEMBL4460201)Show SMILES Cc1cc(cc(C)c1O)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1 Show InChI InChI=1S/C19H17N5O2/c1-11-8-13(9-12(2)16(11)25)15-10-23-18(17(20)21-15)22-24(19(23)26)14-6-4-3-5-7-14/h3-10,25H,1-2H3,(H2,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes by radioligand competition assay |
J Med Chem 62: 8511-8531 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00778 BindingDB Entry DOI: 10.7270/Q2ST7T4D |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM10880
![PNG](/data/jpeg/tenK1/BindingDB_10880.png) (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 ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA7 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113793 BindingDB Entry DOI: 10.7270/Q28S4TRB |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21281
![PNG](/data/jpeg/tenK2/BindingDB_21281.png) ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50569716
![PNG](/data/jpeg/tenK5056/BindingDB_50569716.png) (CHEMBL4870611)Show SMILES Cc1ccc(CN2CCS(=O)(=O)N(CCc3ccc(cc3)S(N)(=O)=O)C2)cc1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 2.5 | 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.2021.113956 BindingDB Entry DOI: 10.7270/Q2X06C4M |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50528497
![PNG](/data/jpeg/tenK5052/BindingDB_50528497.png) (CHEMBL4517597)Show SMILES COC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)c1 Show InChI InChI=1S/C20H14N4O2S2/c1-26-20(25)13-5-2-4-12(8-13)11-28-19-15(10-22)17(16-6-3-7-27-16)14(9-21)18(23)24-19/h2-8H,11H2,1H3,(H2,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membranes measured after 90 mins by scintillation counting method |
J Med Chem 62: 6894-6912 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00106 BindingDB Entry DOI: 10.7270/Q2PC35TK |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50341390
![PNG](/data/jpeg/tenK5034/BindingDB_50341390.png) (CHEMBL4161665)Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Se;v2]c2ccccc2)cc1 Show InChI InChI=1S/C13H13NO2SSe/c14-17(15,16)12-8-6-11(7-9-12)10-18-13-4-2-1-3-5-13/h1-9H,10H2,(H2,14,15,16) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
Eur J Med Chem 154: 210-219 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.026 BindingDB Entry DOI: 10.7270/Q2VX0K2M |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50528485
![PNG](/data/jpeg/tenK5052/BindingDB_50528485.png) (CHEMBL4447663)Show InChI InChI=1S/C17H11N5OS/c18-8-12-15(14-5-3-7-23-14)13(9-19)17(22-16(12)20)24-10-11-4-1-2-6-21-11/h1-7H,10H2,(H2,20,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membranes measured after 90 mins by scintillation counting method |
J Med Chem 62: 6894-6912 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00106 BindingDB Entry DOI: 10.7270/Q2PC35TK |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Rattus norvegicus (rat)) | BDBM21190
![PNG](/data/jpeg/tenK2/BindingDB_21190.png) (4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NECA from rat adenosine A2A receptor expressed in CHO cell membranes by radioligand competition assay |
J Med Chem 62: 8511-8531 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00778 BindingDB Entry DOI: 10.7270/Q2ST7T4D |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50556532
![PNG](/data/jpeg/tenK5055/BindingDB_50556532.png) (CHEMBL4753891)Show SMILES Cc1c(Br)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50574145
![PNG](/data/jpeg/tenK5057/BindingDB_50574145.png) (CHEMBL4849345)Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6](-[#8])-[#6]-[#16]-c2ccccc2)cc1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113793 BindingDB Entry DOI: 10.7270/Q28S4TRB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50574147
![PNG](/data/jpeg/tenK5057/BindingDB_50574147.png) (CHEMBL4868581)Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6](-[#8])-[#6]-[#16]-c2ncccn2)cc1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113793 BindingDB Entry DOI: 10.7270/Q28S4TRB |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50505402
![PNG](/data/jpeg/tenK5050/BindingDB_50505402.png) (CHEMBL4482881)Show SMILES COc1cc(cc(OC)c1OC)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1 Show InChI InChI=1S/C20H19N5O4/c1-27-15-9-12(10-16(28-2)17(15)29-3)14-11-24-19(18(21)22-14)23-25(20(24)26)13-7-5-4-6-8-13/h4-11H,1-3H3,(H2,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes by radioligand competition assay |
J Med Chem 62: 8511-8531 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00778 BindingDB Entry DOI: 10.7270/Q2ST7T4D |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50556533
![PNG](/data/jpeg/tenK5055/BindingDB_50556533.png) (CHEMBL4781952)Show SMILES Cc1c(Cl)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50408524
![PNG](/data/jpeg/tenK5040/BindingDB_50408524.png) (CHEMBL4174088)Show SMILES NS(=O)(=O)c1ccc(C[Se]c2ccc(NC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cc2)cc1 Show InChI InChI=1S/C34H25N3O7S2Se/c35-46(42,43)24-8-1-19(2-9-24)18-47-25-10-3-20(4-11-25)36-34(45)37-21-5-12-26(29(15-21)33(40)41)32-27-13-6-22(38)16-30(27)44-31-17-23(39)7-14-28(31)32/h1-17,38H,18H2,(H,40,41)(H2,35,42,43)(H2,36,37,45) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
Eur J Med Chem 154: 210-219 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.026 BindingDB Entry DOI: 10.7270/Q2VX0K2M |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50408534
![PNG](/data/jpeg/tenK5040/BindingDB_50408534.png) (CHEMBL4162595)Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-c2ccccc2)cc1 Show InChI InChI=1S/C13H13NO2SSe/c14-17(15,16)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,14,15,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
Eur J Med Chem 154: 210-219 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.026 BindingDB Entry DOI: 10.7270/Q2VX0K2M |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50408531
![PNG](/data/jpeg/tenK5040/BindingDB_50408531.png) (CHEMBL4166037)Show InChI InChI=1S/C8H8N2O2SSe/c9-6-14-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5H2,(H2,10,11,12) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
Eur J Med Chem 154: 210-219 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.026 BindingDB Entry DOI: 10.7270/Q2VX0K2M |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50574150
![PNG](/data/jpeg/tenK5057/BindingDB_50574150.png) (CHEMBL4848929)Show SMILES [#6]-c1ccccc1[Se;v2][#6]-[#6](-[#8])-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113793 BindingDB Entry DOI: 10.7270/Q28S4TRB |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50528500
![PNG](/data/jpeg/tenK5052/BindingDB_50528500.png) (CHEMBL4582498)Show SMILES Nc1nc(SCc2cccc(c2)C(O)=O)c(C#N)c(-c2ccco2)c1C#N Show InChI InChI=1S/C19H12N4O3S/c20-8-13-16(15-5-2-6-26-15)14(9-21)18(23-17(13)22)27-10-11-3-1-4-12(7-11)19(24)25/h1-7H,10H2,(H2,22,23)(H,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membranes measured after 90 mins by scintillation counting method |
J Med Chem 62: 6894-6912 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00106 BindingDB Entry DOI: 10.7270/Q2PC35TK |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50574159
![PNG](/data/jpeg/tenK5057/BindingDB_50574159.png) (CHEMBL4873126)Show SMILES [#6]-[#6]-[#6]-[#6][Se;v2][#6]-[#6](-[#8])-[#6]-[#16]-c1ccc(cc1)S([#7])(=O)=O | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113793 BindingDB Entry DOI: 10.7270/Q28S4TRB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50556533
![PNG](/data/jpeg/tenK5055/BindingDB_50556533.png) (CHEMBL4781952)Show SMILES Cc1c(Cl)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50505384
![PNG](/data/jpeg/tenK5050/BindingDB_50505384.png) (CHEMBL4457393)Show SMILES COc1c(C)cc(cc1C)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1 Show InChI InChI=1S/C20H19N5O2/c1-12-9-14(10-13(2)17(12)27-3)16-11-24-19(18(21)22-16)23-25(20(24)26)15-7-5-4-6-8-15/h4-11H,1-3H3,(H2,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cell membranes by radioligand competition assay |
J Med Chem 62: 8511-8531 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00778 BindingDB Entry DOI: 10.7270/Q2ST7T4D |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50574158
![PNG](/data/jpeg/tenK5057/BindingDB_50574158.png) (CHEMBL4854921)Show SMILES [#6]-[#8]-c1ccc([Se;v2][#6]-[#6](-[#8])-[#6]-[#16]-c2ccc(cc2)S([#7])(=O)=O)cc1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 |
TBA
| Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113793 BindingDB Entry DOI: 10.7270/Q28S4TRB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50556531
![PNG](/data/jpeg/tenK5055/BindingDB_50556531.png) (CHEMBL4779298) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50574151
![PNG](/data/jpeg/tenK5057/BindingDB_50574151.png) (CHEMBL4874519)Show SMILES [#6]-[#6]-[#6]-[#6][Se;v2][#6]-[#6](-[#8])-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
| Article PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113793 BindingDB Entry DOI: 10.7270/Q28S4TRB |
More data for this Ligand-Target Pair | |