Found 344 hits with Last Name = 'goossens' and Initial = 'jf' 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 |
|---|
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50042235
(2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...)Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
In vitro binding affinity towards Angiotensin II receptor, type 1 of human hepatoma cell line PLC-PRF-5 |
J Med Chem 45: 4794-8 (2002)
BindingDB Entry DOI: 10.7270/Q2QC02TH |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50042235
(2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...)Show SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224081
(CHEMBL235733 | N3-(1-(3,5-dimethyl)adamantyl)-7-ch...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ccc(Cl)cc12 |w:15.15,18.18,TLB:22:11:20:17.15.14,THB:21:18:14:12.11.22,21:11:20.18.17:14,22:15:20:12.21.11,10:11:20:17.15.14,TEB:16:15:20:12.21.11,16:15:12:20.18.21,19:18:12:15.14.22,19:18:14:12.11.22| Show InChI InChI=1S/C27H35ClN2O2/c1-4-5-6-9-30-14-21(23(31)20-8-7-19(28)10-22(20)30)24(32)29-27-13-18-11-25(2,16-27)15-26(3,12-18)17-27/h7-8,10,14,18H,4-6,9,11-13,15-17H2,1-3H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 5.37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]SR-141716A from human CB1 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50067499
((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18| Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50428509
(CHEMBL2331608)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H19N3O3S/c23-29(27,28)21-12-10-20(11-13-21)25-22(14-19(15-26)24-25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-14,26H,15H2,(H2,23,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50329603
(CHEMBL1270532 | N-(Piperidino-1-ethyl)-1-[4-(amino...)Show SMILES Cc1c(cc(-c2ccc3ccccc3c2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCN1CCCCC1 Show InChI InChI=1S/C29H32N4O3S/c1-21-27(29(34)31-15-18-32-16-5-2-6-17-32)20-28(24-10-9-22-7-3-4-8-23(22)19-24)33(21)25-11-13-26(14-12-25)37(30,35)36/h3-4,7-14,19-20H,2,5-6,15-18H2,1H3,(H,31,34)(H2,30,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 18: 7392-401 (2010)
Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21281
((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
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50428503
(CHEMBL2336615)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1CO)-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)19-9-7-17(8-10-19)23-18(13-24)12-20(22-23)16-6-5-14-3-1-2-4-15(14)11-16/h1-12,24H,13H2,(H2,21,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50428512
(CHEMBL2336626)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)19-9-7-18(8-10-19)23-20(12-17(13-24)22-23)16-6-5-14-3-1-2-4-15(14)11-16/h1-12,24H,13H2,(H2,21,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089984
(4'-(3-Butyl-1,4-dioxo-2,3-diaza-spiro[4.4]non-2-yl...)Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)C(=O)C2(CCCC2)C1=O Show InChI InChI=1S/C31H33N3O5S/c1-2-3-21-33-29(36)31(19-9-10-20-31)30(37)34(33)22-23-15-17-24(18-16-23)26-13-7-8-14-27(26)40(38,39)32-28(35)25-11-5-4-6-12-25/h4-8,11-18H,2-3,9-10,19-22H2,1H3,(H,32,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50329601
(4-{2-Methyl-3-[(4-methylpiperazino)carbonyl]-5-(2-...)Show SMILES CN1CCN(CC1)C(=O)c1cc(-c2ccc3ccccc3c2)n(c1C)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C27H28N4O3S/c1-19-25(27(32)30-15-13-29(2)14-16-30)18-26(22-8-7-20-5-3-4-6-21(20)17-22)31(19)23-9-11-24(12-10-23)35(28,33)34/h3-12,17-18H,13-16H2,1-2H3,(H2,28,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 18: 7392-401 (2010)
Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50329602
(CHEMBL1270531 | N-[2-(Pyrrolidinyl-1-ethyl)]-1-[4-...)Show SMILES Cc1c(cc(-c2ccc3ccccc3c2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCN1CCCC1 Show InChI InChI=1S/C28H30N4O3S/c1-20-26(28(33)30-14-17-31-15-4-5-16-31)19-27(23-9-8-21-6-2-3-7-22(21)18-23)32(20)24-10-12-25(13-11-24)36(29,34)35/h2-3,6-13,18-19H,4-5,14-17H2,1H3,(H,30,33)(H2,29,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 18: 7392-401 (2010)
Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50329599
(CHEMBL1270341 | N-[2-(Dimethylamino)ethyl]-1-[4-(a...)Show SMILES CN(C)CCNC(=O)c1cc(-c2ccc3ccccc3c2)n(c1C)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C26H28N4O3S/c1-18-24(26(31)28-14-15-29(2)3)17-25(21-9-8-19-6-4-5-7-20(19)16-21)30(18)22-10-12-23(13-11-22)34(27,32)33/h4-13,16-17H,14-15H2,1-3H3,(H,28,31)(H2,27,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay |
Bioorg Med Chem 18: 7392-401 (2010)
Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50329600
(CHEMBL1270437 | N-(Dimethylaminopropyl)-1-[4-(amin...)Show SMILES CN(C)CCCNC(=O)c1cc(-c2ccc3ccccc3c2)n(c1C)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C27H30N4O3S/c1-19-25(27(32)29-15-6-16-30(2)3)18-26(22-10-9-20-7-4-5-8-21(20)17-22)31(19)23-11-13-24(14-12-23)35(28,33)34/h4-5,7-14,17-18H,6,15-16H2,1-3H3,(H,29,32)(H2,28,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay |
Bioorg Med Chem 18: 7392-401 (2010)
Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(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
| DrugBank
MMDB
PDB
Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089996
(4'-(3-Butyl-1,4-dioxo-2,3-diaza-spiro[4.4]non-2-yl...)Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)CCCC)C(=O)C2(CCCC2)C1=O Show InChI InChI=1S/C29H37N3O5S/c1-3-5-13-26(33)30-38(36,37)25-12-8-7-11-24(25)23-16-14-22(15-17-23)21-32-28(35)29(18-9-10-19-29)27(34)31(32)20-6-4-2/h7-8,11-12,14-17H,3-6,9-10,13,18-21H2,1-2H3,(H,30,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428520
(CHEMBL2336632)Show InChI InChI=1S/C15H14N4O3S/c16-23(21,22)14-5-3-13(4-6-14)19-15(8-12(10-20)18-19)11-2-1-7-17-9-11/h1-9,20H,10H2,(H2,16,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180026
(CHEMBL264521 | N3-(2-adamantyl)-4-oxo-1-pentyl-1,4...)Show SMILES CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)c2ccccc12 |TLB:20:19:15.14.13:17,THB:15:14:11:16.17.18,15:16:11:14.13.20,20:14:17:11.18.19,10:11:15.14.13:17,(-9.3,-21.93,;-7.97,-22.7,;-6.63,-21.93,;-6.63,-20.39,;-5.3,-19.62,;-5.3,-18.08,;-3.97,-17.32,;-3.97,-15.78,;-2.63,-15.01,;-1.3,-15.78,;-2.63,-13.47,;-1.29,-12.7,;-1.18,-11.17,;.24,-10.91,;1.54,-11.49,;2.82,-10.29,;1.29,-10.61,;-.08,-9.96,;1.19,-12.2,;.07,-13.36,;1.45,-12.98,;-5.3,-15,;-5.3,-13.46,;-6.62,-15.78,;-7.95,-15.01,;-9.28,-15.78,;-9.28,-17.32,;-7.95,-18.08,;-6.63,-17.32,)| Show InChI InChI=1S/C25H32N2O2/c1-2-3-6-9-27-15-21(24(28)20-7-4-5-8-22(20)27)25(29)26-23-18-11-16-10-17(13-18)14-19(23)12-16/h4-5,7-8,15-19,23H,2-3,6,9-14H2,1H3,(H,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224046
(((+/-)-N3-(1-(1-adamantyl)ethyl)-4-oxo-1-pentyl-1,...)Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12 |w:11.11,TLB:11:13:16:20.18.19,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19| Show InChI InChI=1S/C27H36N2O2/c1-3-4-7-10-29-17-23(25(30)22-8-5-6-9-24(22)29)26(31)28-18(2)27-14-19-11-20(15-27)13-21(12-19)16-27/h5-6,8-9,17-21H,3-4,7,10-16H2,1-2H3,(H,28,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50119657
(8-Butyl-7-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C2(CCCC2)CC1=O Show InChI InChI=1S/C26H30N6O2/c1-2-3-16-31-23(33)17-26(14-6-7-15-26)25(34)32(31)18-19-10-12-20(13-11-19)21-8-4-5-9-22(21)24-27-29-30-28-24/h4-5,8-13H,2-3,6-7,14-18H2,1H3,(H,27,28,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
In vitro binding affinity towards Angiotensin II receptor, type 1 of human hepatoma cell line PLC-PRF-5 |
J Med Chem 45: 4794-8 (2002)
BindingDB Entry DOI: 10.7270/Q2QC02TH |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428518
(CHEMBL2336620)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccc(Br)cc1 Show InChI InChI=1S/C16H14BrN3O3S/c17-12-3-1-11(2-4-12)16-9-13(10-21)19-20(16)14-5-7-15(8-6-14)24(18,22)23/h1-9,21H,10H2,(H2,18,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50072775
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 15.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180020
(4-oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic ...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ccccc12 |TLB:14:15:20.13.12:21,22:11:20:17.14.15,THB:14:13:21:17.15.22,10:11:20:17.14.15,22:15:20:12.11.21,16:15:20:12.11.21,16:15:20.13.12:21| Show InChI InChI=1S/C27H36N2O2/c1-4-5-8-11-29-15-21(23(30)20-9-6-7-10-22(20)29)24(31)28-27-14-19-12-25(2,17-27)16-26(3,13-19)18-27/h6-7,9-10,15,19H,4-5,8,11-14,16-18H2,1-3H3,(H,28,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50329600
(CHEMBL1270437 | N-(Dimethylaminopropyl)-1-[4-(amin...)Show SMILES CN(C)CCCNC(=O)c1cc(-c2ccc3ccccc3c2)n(c1C)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C27H30N4O3S/c1-19-25(27(32)29-15-6-16-30(2)3)18-26(22-10-9-20-7-4-5-8-21(20)17-22)31(19)23-11-13-24(14-12-23)35(28,33)34/h4-5,7-14,17-18H,6,15-16H2,1-3H3,(H,29,32)(H2,28,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 18: 7392-401 (2010)
Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180040
(4-Oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic ...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17| Show InChI InChI=1S/C25H32N2O2/c1-2-3-6-9-27-16-21(23(28)20-7-4-5-8-22(20)27)24(29)26-25-13-17-10-18(14-25)12-19(11-17)15-25/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3,(H,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428512
(CHEMBL2336626)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)19-9-7-18(8-10-19)23-20(12-17(13-24)22-23)16-6-5-14-3-1-2-4-15(14)11-16/h1-12,24H,13H2,(H2,21,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224077
(CHEMBL236361 | N3-(1-(3,5-dimethyl)adamantyl)-1-pe...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=S)c2ccccc12 |w:13.13,15.15,18.18,11.10,TLB:22:11:20:17.15.14,THB:21:18:14:12.11.22,21:11:20.18.17:14,22:15:20:12.21.11,TEB:10:11:20:17.15.14,10:11:20.18.17:14,16:15:20:12.21.11,16:15:12:20.18.21,19:18:14:12.11.22,19:18:12:15.14.22| Show InChI InChI=1S/C27H36N2OS/c1-4-5-8-11-29-15-21(23(31)20-9-6-7-10-22(20)29)24(30)28-27-14-19-12-25(2,17-27)16-26(3,13-19)18-27/h6-7,9-10,15,19H,4-5,8,11-14,16-18H2,1-3H3,(H,28,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 18.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428501
(CHEMBL2336617)Show SMILES NS(=O)(=O)c1cccc(c1)-n1nc(CO)cc1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)19-7-3-6-18(12-19)23-20(11-17(13-24)22-23)16-9-8-14-4-1-2-5-15(14)10-16/h1-12,24H,13H2,(H2,21,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428511
(CHEMBL2336627)Show SMILES COc1ccc2cc(ccc2c1)-c1cc(CO)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H19N3O4S/c1-28-19-7-4-14-10-16(3-2-15(14)11-19)21-12-17(13-25)23-24(21)18-5-8-20(9-6-18)29(22,26)27/h2-12,25H,13H2,1H3,(H2,22,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428516
(CHEMBL2336622)Show SMILES COc1ccc(cc1)-c1cc(CO)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H17N3O4S/c1-24-15-6-2-12(3-7-15)17-10-13(11-21)19-20(17)14-4-8-16(9-5-14)25(18,22)23/h2-10,21H,11H2,1H3,(H2,18,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180036
((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 20.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille 2
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor |
J Med Chem 49: 70-9 (2006)
Article DOI: 10.1021/jm050467q
BindingDB Entry DOI: 10.7270/Q2X067VC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428503
(CHEMBL2336615)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1CO)-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)19-9-7-17(8-10-19)23-18(13-24)12-20(22-23)16-6-5-14-3-1-2-4-15(14)11-16/h1-12,24H,13H2,(H2,21,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428519
(CHEMBL2336619)Show SMILES Cc1ccc(cc1)-c1cc(CO)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H17N3O3S/c1-12-2-4-13(5-3-12)17-10-14(11-21)19-20(17)15-6-8-16(9-7-15)24(18,22)23/h2-10,21H,11H2,1H3,(H2,18,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50329606
(CHEMBL1270836 | N-(2-Morpholinoethyl)-1-[4-(aminos...)Show SMILES Cc1c(cc(-c2ccc3ccccc3c2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C28H30N4O4S/c1-20-26(28(33)30-12-13-31-14-16-36-17-15-31)19-27(23-7-6-21-4-2-3-5-22(21)18-23)32(20)24-8-10-25(11-9-24)37(29,34)35/h2-11,18-19H,12-17H2,1H3,(H,30,33)(H2,29,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay |
Bioorg Med Chem 18: 7392-401 (2010)
Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428521
(CHEMBL2336631)Show InChI InChI=1S/C17H17N3O3S/c18-24(22,23)16-8-6-15(7-9-16)20-17(12-14(19-20)10-11-21)13-4-2-1-3-5-13/h1-9,12,21H,10-11H2,(H2,18,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224059
(CHEMBL235040 | N3-(1-(3,5-dimethyl)adamantyl)-4-ox...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2cccnc12 |w:15.15,18.18,TLB:22:11:20:17.15.14,THB:21:18:14:12.11.22,21:11:20.18.17:14,22:15:20:12.21.11,10:11:20:17.15.14,TEB:16:15:20:12.21.11,16:15:12:20.18.21,19:18:12:15.14.22,19:18:14:12.11.22| Show InChI InChI=1S/C26H35N3O2/c1-4-5-6-10-29-14-20(21(30)19-8-7-9-27-22(19)29)23(31)28-26-13-18-11-24(2,16-26)15-25(3,12-18)17-26/h7-9,14,18H,4-6,10-13,15-17H2,1-3H3,(H,28,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 23.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(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
NCI pathway
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
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089990
(2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C2(CCCC2)C1=O Show InChI InChI=1S/C25H28N6O2/c1-2-3-16-30-23(32)25(14-6-7-15-25)24(33)31(30)17-18-10-12-19(13-11-18)20-8-4-5-9-21(20)22-26-28-29-27-22/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,26,27,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089987
(4'-(1,4-Dioxo-3-pentyl-2,3-diaza-spiro[4.4]non-2-y...)Show SMILES CCCCCN1N(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)C(=O)C2(CCCC2)C1=O Show InChI InChI=1S/C32H35N3O5S/c1-2-3-11-22-34-30(37)32(20-9-10-21-32)31(38)35(34)23-24-16-18-25(19-17-24)27-14-7-8-15-28(27)41(39,40)33-29(36)26-12-5-4-6-13-26/h4-8,12-19H,2-3,9-11,20-23H2,1H3,(H,33,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 |
J Med Chem 43: 2685-97 (2000)
BindingDB Entry DOI: 10.7270/Q22B8X8G |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50089990
(2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C2(CCCC2)C1=O Show InChI InChI=1S/C25H28N6O2/c1-2-3-16-30-23(32)25(14-6-7-15-25)24(33)31(30)17-18-10-12-19(13-11-18)20-8-4-5-9-21(20)22-26-28-29-27-22/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,26,27,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
In vitro binding affinity towards Angiotensin II receptor, type 1 of human hepatoma cell line PLC-PRF-5 |
J Med Chem 45: 4794-8 (2002)
BindingDB Entry DOI: 10.7270/Q2QC02TH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224052
(CHEMBL393792 | adamantane-1-carboxylic Acid (4-Oxo...)Show SMILES CCCCCn1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12 |TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11| Show InChI InChI=1S/C25H32N2O2/c1-2-3-6-9-27-16-21(23(28)20-7-4-5-8-22(20)27)26-24(29)25-13-17-10-18(14-25)12-19(11-17)15-25/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3,(H,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 25.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428515
(CHEMBL2336623)Show SMILES COc1cccc(c1)-c1cc(CO)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H17N3O4S/c1-24-15-4-2-3-12(9-15)17-10-13(11-21)19-20(17)14-5-7-16(8-6-14)25(18,22)23/h2-10,21H,11H2,1H3,(H2,18,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224051
(((+/-)-N3-(1-(1-adamantyl)ethyl)-7-chloro-4-oxo-1-...)Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Cl)cc12 |w:11.11,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19| Show InChI InChI=1S/C27H35ClN2O2/c1-3-4-5-8-30-16-23(25(31)22-7-6-21(28)12-24(22)30)26(32)29-17(2)27-13-18-9-19(14-27)11-20(10-18)15-27/h6-7,12,16-20H,3-5,8-11,13-15H2,1-2H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428522
(CHEMBL2336633)Show InChI InChI=1S/C16H15N3O3S/c17-23(21,22)15-8-6-14(7-9-15)19-16(10-13(11-20)18-19)12-4-2-1-3-5-12/h1-10,20H,11H2,(H2,17,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428517
(CHEMBL2336621)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccc(cc1)C#N Show InChI InChI=1S/C17H14N4O3S/c18-10-12-1-3-13(4-2-12)17-9-14(11-22)20-21(17)15-5-7-16(8-6-15)25(19,23)24/h1-9,22H,11H2,(H2,19,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428509
(CHEMBL2331608)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H19N3O3S/c23-29(27,28)21-12-10-20(11-13-21)25-22(14-19(15-26)24-25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-14,26H,15H2,(H2,23,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224063
(CHEMBL235946 | N3-(1-(3,5-dimethyl)adamantyl)-8-ch...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2cccc(Cl)c12 |w:15.15,18.18,TLB:22:11:20:17.15.14,THB:21:18:14:12.11.22,21:11:20.18.17:14,22:15:20:12.21.11,10:11:20:17.15.14,TEB:16:15:20:12.21.11,16:15:12:20.18.21,19:18:12:15.14.22,19:18:14:12.11.22| Show InChI InChI=1S/C27H35ClN2O2/c1-4-5-6-10-30-14-20(23(31)19-8-7-9-21(28)22(19)30)24(32)29-27-13-18-11-25(2,16-27)15-26(3,12-18)17-27/h7-9,14,18H,4-6,10-13,15-17H2,1-3H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 27.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428500
(CHEMBL2336618)Show SMILES COc1ccc2cc(ccc2c1)-c1cc(CO)nn1-c1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C21H19N3O4S/c1-28-19-8-7-14-9-16(6-5-15(14)10-19)21-11-17(13-25)23-24(21)18-3-2-4-20(12-18)29(22,26)27/h2-12,25H,13H2,1H3,(H2,22,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428510
(CHEMBL2336628)Show SMILES COc1ccc2cc(ccc2c1Br)-c1cc(CO)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H18BrN3O4S/c1-29-20-9-3-13-10-14(2-8-18(13)21(20)22)19-11-15(12-26)24-25(19)16-4-6-17(7-5-16)30(23,27)28/h2-11,26H,12H2,1H3,(H2,23,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Search and Browse
