Found 1841 hits with Last Name = 'dong' and Initial = 'y' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50305990
(CHEMBL596388 | N-((1-(4-chloro-2-(2-fluorophenylsu...)Show SMILES CCC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C21H23ClF4N2O6S3/c1-2-20(14-27-37(33,34)21(24,25)26)9-11-28(12-10-20)36(31,32)18-8-7-15(22)13-19(18)35(29,30)17-6-4-3-5-16(17)23/h3-8,13,27H,2,9-12,14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 608-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50305989
(CHEMBL596387 | N-((1-(4-chloro-2-(2-fluorophenylsu...)Show SMILES CC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C20H21ClF4N2O6S3/c1-19(13-26-36(32,33)20(23,24)25)8-10-27(11-9-19)35(30,31)17-7-6-14(21)12-18(17)34(28,29)16-5-3-2-4-15(16)22/h2-7,12,26H,8-11,13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 608-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | 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
| DrugBank
PDB
Article
PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 60 mins followed by substrate addition for 2 secs by ADPH ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00890
BindingDB Entry DOI: 10.7270/Q24B352D |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50306002
(CHEMBL595705 | N-(6-(5-chloro-2-(4-methoxyphenylsu...)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC2(CC2NS(=O)(=O)C(F)(F)F)CC1 Show InChI InChI=1S/C21H22ClF3N2O7S3/c1-34-15-3-5-16(6-4-15)35(28,29)17-7-2-14(22)12-18(17)36(30,31)27-10-8-20(9-11-27)13-19(20)26-37(32,33)21(23,24)25/h2-7,12,19,26H,8-11,13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 608-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50508937
(CHEMBL4448046)Show SMILES Cn1nc2CSCc3nn(C)c(Cl)c3-c3c(Cl)ccc4c(CCCOc5cc(SCc1c2)cc1ccccc51)c(C(O)=O)n(C)c34 Show InChI InChI=1S/C34H31Cl2N5O3S2/c1-39-31-25-10-11-26(35)29(31)30-27(38-41(3)33(30)36)18-45-16-20-14-21(40(2)37-20)17-46-22-13-19-7-4-5-8-23(19)28(15-22)44-12-6-9-24(25)32(39)34(42)43/h4-5,7-8,10-11,13-15H,6,9,12,16-18H2,1-3H3,(H,42,43) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Mcl1 (unknown origin) by TR-FRET assay |
J Med Chem 62: 9418-9437 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00716
BindingDB Entry DOI: 10.7270/Q2PV6PNH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50211605
((S)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)ph...)Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C21H16ClF4NO6S3/c1-13(27-36(32,33)21(24,25)26)14-6-9-16(10-7-14)34(28,29)19-11-8-15(22)12-20(19)35(30,31)18-5-3-2-4-17(18)23/h2-13,27H,1H3/t13-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 608-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50306008
(1,1,1-trifluoro-N-(6-(2-(pyridin-2-ylsulfonyl)-5-(...)Show SMILES FC(F)(F)Oc1ccc(c(c1)S(=O)(=O)N1CCC2(CC2NS(=O)(=O)C(F)(F)F)CC1)S(=O)(=O)c1ccccn1 Show InChI InChI=1S/C20H19F6N3O7S3/c21-19(22,23)36-13-4-5-14(37(30,31)17-3-1-2-8-27-17)15(11-13)38(32,33)29-9-6-18(7-10-29)12-16(18)28-39(34,35)20(24,25)26/h1-5,8,11,16,28H,6-7,9-10,12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 608-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50306017
(CHEMBL604704 | N-((1R,5S,6s)-3-(4-chloro-2-(2-fluo...)Show SMILES Fc1ccccc1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NS(=O)(=O)C(F)(F)F |r| Show InChI InChI=1S/C18H15ClF4N2O6S3/c19-10-5-6-15(16(7-10)32(26,27)14-4-2-1-3-13(14)20)33(28,29)25-8-11-12(9-25)17(11)24-34(30,31)18(21,22)23/h1-7,11-12,17,24H,8-9H2/t11-,12+,17+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 608-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50306007
(CHEMBL592896 | N-(6-(5-chloro-2-(pyridin-2-ylsulfo...)Show SMILES FC(F)(F)S(=O)(=O)NC1CC11CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)c1ccccn1 Show InChI InChI=1S/C19H19ClF3N3O6S3/c20-13-4-5-14(33(27,28)17-3-1-2-8-24-17)15(11-13)34(29,30)26-9-6-18(7-10-26)12-16(18)25-35(31,32)19(21,22)23/h1-5,8,11,16,25H,6-7,9-10,12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 608-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50306016
(CHEMBL596579 | N-(6-(4-chloro-2-(2-fluorophenylsul...)Show SMILES Fc1ccccc1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC2(CC2NS(=O)(=O)C(F)(F)F)CC1 Show InChI InChI=1S/C20H19ClF4N2O6S3/c21-13-5-6-16(17(11-13)34(28,29)15-4-2-1-3-14(15)22)35(30,31)27-9-7-19(8-10-27)12-18(19)26-36(32,33)20(23,24)25/h1-6,11,18,26H,7-10,12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 608-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50306003
(1,1,1-trifluoro-N-(6-(2-(2-fluorophenylsulfonyl)-5...)Show SMILES Fc1ccccc1S(=O)(=O)c1ccc(cc1S(=O)(=O)N1CCC2(CC2NS(=O)(=O)C(F)(F)F)CC1)C(F)(F)F Show InChI InChI=1S/C21H19F7N2O6S3/c22-14-3-1-2-4-15(14)37(31,32)16-6-5-13(20(23,24)25)11-17(16)38(33,34)30-9-7-19(8-10-30)12-18(19)29-39(35,36)21(26,27)28/h1-6,11,18,29H,7-10,12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 608-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50305993
(CHEMBL594300 | N-((1-(4-chloro-2-(2-fluorophenylsu...)Show SMILES OCC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C20H21ClF4N2O7S3/c21-14-5-6-17(18(11-14)35(29,30)16-4-2-1-3-15(16)22)36(31,32)27-9-7-19(13-28,8-10-27)12-26-37(33,34)20(23,24)25/h1-6,11,26,28H,7-10,12-13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 608-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50566910
(CHEMBL4870569)Show SMILES CCCCOc1nc(OCC2(O)CCC2)c(cc1CO)-c1ccc(cc1)S(C)(=O)=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 60 mins followed by substrate addition for 2 secs by ADPH ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00890
BindingDB Entry DOI: 10.7270/Q24B352D |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50306005
(1,1,1-trifluoro-N-(6-(2-(2-fluorophenylsulfonyl)-5...)Show SMILES Fc1ccccc1S(=O)(=O)c1ccc(OC(F)(F)F)cc1S(=O)(=O)N1CCC2(CC2NS(=O)(=O)C(F)(F)F)CC1 Show InChI InChI=1S/C21H19F7N2O7S3/c22-14-3-1-2-4-15(14)38(31,32)16-6-5-13(37-20(23,24)25)11-17(16)39(33,34)30-9-7-19(8-10-30)12-18(19)29-40(35,36)21(26,27)28/h1-6,11,18,29H,7-10,12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 608-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50306004
(1,1,1-trifluoro-N-(6-(2-(pyridin-2-ylsulfonyl)-5-(...)Show SMILES FC(F)(F)c1ccc(c(c1)S(=O)(=O)N1CCC2(CC2NS(=O)(=O)C(F)(F)F)CC1)S(=O)(=O)c1ccccn1 Show InChI InChI=1S/C20H19F6N3O6S3/c21-19(22,23)13-4-5-14(36(30,31)17-3-1-2-8-27-17)15(11-13)37(32,33)29-9-6-18(7-10-29)12-16(18)28-38(34,35)20(24,25)26/h1-5,8,11,16,28H,6-7,9-10,12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 608-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50305994
(CHEMBL593595 | N-((1-(4-chloro-2-(2-fluorophenylsu...)Show SMILES CC(O)C1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C21H23ClF4N2O7S3/c1-14(29)20(13-27-38(34,35)21(24,25)26)8-10-28(11-9-20)37(32,33)18-7-6-15(22)12-19(18)36(30,31)17-5-3-2-4-16(17)23/h2-7,12,14,27,29H,8-11,13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 608-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50305991
(CHEMBL595481 | N-((1-(4-chloro-2-(2-fluorophenylsu...)Show SMILES CCCC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C22H25ClF4N2O6S3/c1-2-9-21(15-28-38(34,35)22(25,26)27)10-12-29(13-11-21)37(32,33)19-8-7-16(23)14-20(19)36(30,31)18-6-4-3-5-17(18)24/h3-8,14,28H,2,9-13,15H2,1H3 | PDB
Reactome pathway
KEGG
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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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 608-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50306006
(CHEMBL603321 | N-((1-(4-chloro-2-(2-fluorophenylsu...)Show SMILES Fc1ccccc1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC(CNS(=O)(=O)C(F)(F)F)CC1 Show InChI InChI=1S/C19H19ClF4N2O6S3/c20-14-5-6-17(18(11-14)33(27,28)16-4-2-1-3-15(16)21)34(29,30)26-9-7-13(8-10-26)12-25-35(31,32)19(22,23)24/h1-6,11,13,25H,7-10,12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 608-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50306018
(CHEMBL595460 | N-(((3R,4S)-1-(4-chloro-2-(2-fluoro...)Show SMILES C[C@H]1CN(CC[C@@H]1CNS(=O)(=O)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F |r| Show InChI InChI=1S/C20H21ClF4N2O6S3/c1-13-12-27(9-8-14(13)11-26-36(32,33)20(23,24)25)35(30,31)18-7-6-15(21)10-19(18)34(28,29)17-5-3-2-4-16(17)22/h2-7,10,13-14,26H,8-9,11-12H2,1H3/t13-,14+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 608-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Macaca mulatta) | BDBM50161407
(CHEMBL178447 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)Show SMILES OC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C28H31Cl2N3O2/c29-25-5-3-19(15-26(25)30)14-20-7-11-33(17-23(20)18-34)24-8-12-32(13-9-24)28(35)22-4-6-27-21(16-22)2-1-10-31-27/h1-6,10,15-16,20,23-24,34H,7-9,11-14,17-18H2/t20-,23+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against monkey CC chemokine receptor 3 |
Bioorg Med Chem Lett 15: 1375-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50305995
(CHEMBL593596 | N-((1-(4-chloro-2-(2-fluorophenylsu...)Show SMILES Fc1ccccc1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC(F)(CNS(=O)(=O)C(F)(F)F)CC1 Show InChI InChI=1S/C19H18ClF5N2O6S3/c20-13-5-6-16(17(11-13)34(28,29)15-4-2-1-3-14(15)21)35(30,31)27-9-7-18(22,8-10-27)12-26-36(32,33)19(23,24)25/h1-6,11,26H,7-10,12H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 608-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50161419
(CHEMBL178818 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)Show SMILES CO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C28H31Cl2N3O2/c1-35-27-18-33(12-8-21(27)15-19-4-6-24(29)25(30)16-19)23-9-13-32(14-10-23)28(34)22-5-7-26-20(17-22)3-2-11-31-26/h2-7,11,16-17,21,23,27H,8-10,12-15,18H2,1H3/t21-,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line |
Bioorg Med Chem Lett 15: 1375-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50161419
(CHEMBL178818 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)Show SMILES CO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C28H31Cl2N3O2/c1-35-27-18-33(12-8-21(27)15-19-4-6-24(29)25(30)16-19)23-9-13-32(14-10-23)28(34)22-5-7-26-20(17-22)3-2-11-31-26/h2-7,11,16-17,21,23,27H,8-10,12-15,18H2,1H3/t21-,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line |
Bioorg Med Chem Lett 15: 1375-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50306019
((+/-)-N-(((2S)-1-(4-chloro-2-(2-fluorophenylsulfon...)Show SMILES C[C@H]1CC(CNS(=O)(=O)C(F)(F)F)CCN1S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F |r| Show InChI InChI=1S/C20H21ClF4N2O6S3/c1-13-10-14(12-26-36(32,33)20(23,24)25)8-9-27(13)35(30,31)18-7-6-15(21)11-19(18)34(28,29)17-5-3-2-4-16(17)22/h2-7,11,13-14,26H,8-10,12H2,1H3/t13-,14?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 608-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50306001
(1,1,1-trifluoro-N-(6-(2-(pyridin-2-ylsulfonyl)phen...)Show SMILES FC(F)(F)S(=O)(=O)NC1CC11CCN(CC1)S(=O)(=O)c1ccccc1S(=O)(=O)c1ccccn1 Show InChI InChI=1S/C19H20F3N3O6S3/c20-19(21,22)34(30,31)24-16-13-18(16)8-11-25(12-9-18)33(28,29)15-6-2-1-5-14(15)32(26,27)17-7-3-4-10-23-17/h1-7,10,16,24H,8-9,11-13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 608-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50566901
(CHEMBL4865464)Show SMILES CCCCOc1nc(OCC(C)(C)O)c(cc1CO)-c1ccc(cc1)S(C)(=O)=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 60 mins followed by substrate addition for 2 secs by ADPH ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00890
BindingDB Entry DOI: 10.7270/Q24B352D |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50566912
(CHEMBL4859571)Show SMILES CC(C)(O)COc1nc(OCCCC(F)(F)F)c(CO)cc1-c1ccc(cc1)S(C)(=O)=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 60 mins followed by substrate addition for 2 secs by ADPH ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00890
BindingDB Entry DOI: 10.7270/Q24B352D |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50161415
(CHEMBL181460 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)Show SMILES C[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C28H31Cl2N3O/c1-19-18-33(12-8-21(19)15-20-4-6-25(29)26(30)16-20)24-9-13-32(14-10-24)28(34)23-5-7-27-22(17-23)3-2-11-31-27/h2-7,11,16-17,19,21,24H,8-10,12-15,18H2,1H3/t19-,21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line |
Bioorg Med Chem Lett 15: 1375-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50161415
(CHEMBL181460 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)Show SMILES C[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C28H31Cl2N3O/c1-19-18-33(12-8-21(19)15-20-4-6-25(29)26(30)16-20)24-9-13-32(14-10-24)28(34)23-5-7-27-22(17-23)3-2-11-31-27/h2-7,11,16-17,19,21,24H,8-10,12-15,18H2,1H3/t19-,21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line |
Bioorg Med Chem Lett 15: 1375-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50161432
(CHEMBL181273 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)Show SMILES CO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2cccnc2n1 Show InChI InChI=1S/C27H30Cl2N4O2/c1-35-25-17-33(12-8-20(25)15-18-4-6-22(28)23(29)16-18)21-9-13-32(14-10-21)27(34)24-7-5-19-3-2-11-30-26(19)31-24/h2-7,11,16,20-21,25H,8-10,12-15,17H2,1H3/t20-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line |
Bioorg Med Chem Lett 15: 1375-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50161420
(CHEMBL362040 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)Show SMILES CO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1cccc2cccnc12 Show InChI InChI=1S/C28H31Cl2N3O2/c1-35-26-18-33(13-9-21(26)16-19-7-8-24(29)25(30)17-19)22-10-14-32(15-11-22)28(34)23-6-2-4-20-5-3-12-31-27(20)23/h2-8,12,17,21-22,26H,9-11,13-16,18H2,1H3/t21-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line |
Bioorg Med Chem Lett 15: 1375-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50566913
(CHEMBL4857474)Show SMILES CCCCOc1nc(OCC(C)(C)O)c(cc1CO)-c1ccc(cn1)S(N)(=O)=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 60 mins followed by substrate addition for 2 secs by ADPH ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00890
BindingDB Entry DOI: 10.7270/Q24B352D |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50161439
(CHEMBL181034 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)Show SMILES CO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1nccc2ccccc12 Show InChI InChI=1S/C28H31Cl2N3O2/c1-35-26-18-33(13-9-21(26)16-19-6-7-24(29)25(30)17-19)22-10-14-32(15-11-22)28(34)27-23-5-3-2-4-20(23)8-12-31-27/h2-8,12,17,21-22,26H,9-11,13-16,18H2,1H3/t21-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line |
Bioorg Med Chem Lett 15: 1375-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50305992
(CHEMBL605932 | N-((1-(4-chloro-2-(2-fluorophenylsu...)Show SMILES CC(C)C1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C22H25ClF4N2O6S3/c1-15(2)21(14-28-38(34,35)22(25,26)27)9-11-29(12-10-21)37(32,33)19-8-7-16(23)13-20(19)36(30,31)18-6-4-3-5-17(18)24/h3-8,13,15,28H,9-12,14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 608-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50553786
(CHEMBL4789106)Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 22 | 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.2022.114106
BindingDB Entry DOI: 10.7270/Q26977NN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50161430
(CHEMBL178887 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)Show SMILES Clc1ccc(C[C@H]2CCN(C[C@H]2C=C)C2CCN(CC2)C(=O)c2ccc3ncccc3c2)cc1Cl Show InChI InChI=1S/C29H31Cl2N3O/c1-2-21-19-34(13-9-22(21)16-20-5-7-26(30)27(31)17-20)25-10-14-33(15-11-25)29(35)24-6-8-28-23(18-24)4-3-12-32-28/h2-8,12,17-18,21-22,25H,1,9-11,13-16,19H2/t21-,22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line |
Bioorg Med Chem Lett 15: 1375-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50161418
(CHEMBL180621 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)Show SMILES CO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccnc2ccccc12 Show InChI InChI=1S/C28H31Cl2N3O2/c1-35-27-18-33(13-9-20(27)16-19-6-7-24(29)25(30)17-19)21-10-14-32(15-11-21)28(34)23-8-12-31-26-5-3-2-4-22(23)26/h2-8,12,17,20-21,27H,9-11,13-16,18H2,1H3/t20-,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line |
Bioorg Med Chem Lett 15: 1375-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50161423
(CHEMBL178136 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)Show SMILES CC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C29H33Cl2N3O/c1-2-21-19-34(13-9-22(21)16-20-5-7-26(30)27(31)17-20)25-10-14-33(15-11-25)29(35)24-6-8-28-23(18-24)4-3-12-32-28/h3-8,12,17-18,21-22,25H,2,9-11,13-16,19H2,1H3/t21-,22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line |
Bioorg Med Chem Lett 15: 1375-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50161421
(CHEMBL362649 | [4-(3,4-Dichloro-benzyl)-[1,4'']bip...)Show SMILES Clc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc3ncccc3c2)cc1Cl Show InChI InChI=1S/C27H29Cl2N3O/c28-24-5-3-20(17-25(24)29)16-19-7-12-31(13-8-19)23-9-14-32(15-10-23)27(33)22-4-6-26-21(18-22)2-1-11-30-26/h1-6,11,17-19,23H,7-10,12-16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line |
Bioorg Med Chem Lett 15: 1375-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50566911
(CHEMBL4868446)Show SMILES CC(C)(O)COc1nc(OCCC(F)(F)F)c(CO)cc1-c1ccc(cc1)S(C)(=O)=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant COX-2 using arachidonic acid as substrate preincubated for 60 mins followed by substrate addition for 2 secs by ADPH ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00890
BindingDB Entry DOI: 10.7270/Q24B352D |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50161422
(CHEMBL181379 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)Show SMILES CCO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C29H33Cl2N3O2/c1-2-36-28-19-34(13-9-22(28)16-20-5-7-25(30)26(31)17-20)24-10-14-33(15-11-24)29(35)23-6-8-27-21(18-23)4-3-12-32-27/h3-8,12,17-18,22,24,28H,2,9-11,13-16,19H2,1H3/t22-,28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line |
Bioorg Med Chem Lett 15: 1375-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50161424
(CHEMBL181137 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)Show SMILES CO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1cnc2ccccc2n1 Show InChI InChI=1S/C27H30Cl2N4O2/c1-35-26-17-33(11-8-19(26)14-18-6-7-21(28)22(29)15-18)20-9-12-32(13-10-20)27(34)25-16-30-23-4-2-3-5-24(23)31-25/h2-7,15-16,19-20,26H,8-14,17H2,1H3/t19-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line |
Bioorg Med Chem Lett 15: 1375-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50161429
(CHEMBL179490 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)Show SMILES CO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2cnccc2n1 Show InChI InChI=1S/C27H30Cl2N4O2/c1-35-26-17-33(11-7-19(26)14-18-2-4-22(28)23(29)15-18)21-8-12-32(13-9-21)27(34)25-5-3-20-16-30-10-6-24(20)31-25/h2-6,10,15-16,19,21,26H,7-9,11-14,17H2,1H3/t19-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line |
Bioorg Med Chem Lett 15: 1375-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50305996
(CHEMBL593838 | N-((1-(4-chloro-2-(2-fluorophenylsu...)Show SMILES Fc1ccccc1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC(CNS(=O)(=O)C(F)(F)F)(CC1)C#N Show InChI InChI=1S/C20H18ClF4N3O6S3/c21-14-5-6-17(18(11-14)35(29,30)16-4-2-1-3-15(16)22)36(31,32)28-9-7-19(12-26,8-10-28)13-27-37(33,34)20(23,24)25/h1-6,11,27H,7-10,13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 37.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 608-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50161443
(CHEMBL180813 | [4-(3,4-Dichloro-benzyl)-[1,4'']bip...)Show SMILES Clc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccnc3ccccc23)cc1Cl Show InChI InChI=1S/C27H29Cl2N3O/c28-24-6-5-20(18-25(24)29)17-19-8-13-31(14-9-19)21-10-15-32(16-11-21)27(33)23-7-12-30-26-4-2-1-3-22(23)26/h1-7,12,18-19,21H,8-11,13-17H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line |
Bioorg Med Chem Lett 15: 1375-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50161449
(1-[4-(3,4-Dichloro-benzyl)-[1,4'']bipiperidinyl-1'...)Show SMILES Cc1ccccc1CC(=O)N1CCC(CC1)N1CCC(Cc2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C26H32Cl2N2O/c1-19-4-2-3-5-22(19)18-26(31)30-14-10-23(11-15-30)29-12-8-20(9-13-29)16-21-6-7-24(27)25(28)17-21/h2-7,17,20,23H,8-16,18H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line |
Bioorg Med Chem Lett 15: 1375-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50508939
(CHEMBL4443085)Show SMILES Cc1cc(CSCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c([nH]c23)C(O)=O)nn1C |(21.19,-26.33,;22.68,-25.93,;23.37,-24.56,;24.9,-24.79,;25.99,-23.71,;27.47,-24.11,;28.56,-23.02,;30.05,-23.42,;30.52,-24.88,;32.06,-24.88,;32.84,-26.21,;32.54,-23.42,;34.03,-23.02,;31.29,-22.51,;31.29,-20.97,;29.96,-20.21,;29.96,-18.67,;31.29,-17.89,;32.62,-18.66,;34.09,-18.19,;34.49,-16.7,;35.97,-16.3,;36.37,-14.82,;37.86,-14.42,;38.26,-12.93,;37.17,-11.83,;37.57,-10.35,;39.06,-9.95,;40.14,-11.03,;41.62,-10.63,;42.72,-11.71,;42.34,-13.2,;40.85,-13.61,;39.75,-12.52,;34.99,-19.43,;34.09,-20.68,;32.62,-20.2,;36.53,-19.43,;37.3,-20.76,;37.3,-18.1,;25.13,-26.32,;23.76,-27.02,;23.36,-28.5,)| Show InChI InChI=1S/C34H35N5O3S/c1-21-18-24(36-38(21)3)19-43-20-29-31(22(2)39(4)37-29)28-14-8-13-26-27(33(34(40)41)35-32(26)28)15-9-17-42-30-16-7-11-23-10-5-6-12-25(23)30/h5-8,10-14,16,18,35H,9,15,17,19-20H2,1-4H3,(H,40,41) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Mcl1 (unknown origin) by TR-FRET assay |
J Med Chem 62: 9418-9437 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00716
BindingDB Entry DOI: 10.7270/Q2PV6PNH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50306012
(CHEMBL604683 | trans-4-chloro-2-(2-fluorophenylsul...)Show SMILES Fc1ccccc1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CC[C@H](CNS(=O)(=O)C(F)(F)F)CC1 |r,wU:24.26,wD:21.22,(.36,-16.33,;-.98,-15.56,;-2.32,-16.33,;-3.65,-15.57,;-3.65,-14.02,;-2.32,-13.24,;-.98,-14.01,;.35,-13.23,;.74,-14.72,;1.83,-13.62,;.34,-11.7,;-.99,-10.94,;-1.01,-9.41,;-2.35,-8.64,;.33,-8.63,;1.67,-9.39,;1.67,-10.93,;3.01,-11.7,;2.6,-13.17,;4.33,-12.46,;3.76,-10.36,;5.3,-10.34,;6.08,-11.66,;7.61,-11.65,;8.37,-10.31,;9.9,-10.3,;10.66,-8.97,;12.19,-8.95,;12.17,-7.39,;13.52,-8.14,;12.99,-10.26,;14.53,-10.24,;12.24,-11.61,;13.77,-11.58,;7.59,-8.98,;6.04,-8.99,)| Show InChI InChI=1S/C20H21ClF4N2O6S3/c21-14-7-10-18(19(11-14)34(28,29)17-4-2-1-3-16(17)22)35(30,31)27-15-8-5-13(6-9-15)12-26-36(32,33)20(23,24)25/h1-4,7,10-11,13,15,26-27H,5-6,8-9,12H2/t13-,15- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 20: 608-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50161409
(CHEMBL362017 | Cinnolin-4-yl-[4-(3,4-dichloro-benz...)Show SMILES Clc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cnnc3ccccc23)cc1Cl Show InChI InChI=1S/C26H28Cl2N4O/c27-23-6-5-19(16-24(23)28)15-18-7-11-31(12-8-18)20-9-13-32(14-10-20)26(33)22-17-29-30-25-4-2-1-3-21(22)25/h1-6,16-18,20H,7-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line |
Bioorg Med Chem Lett 15: 1375-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50161425
(CHEMBL178422 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)Show SMILES FC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C28H30Cl2FN3O/c29-25-5-3-19(15-26(25)30)14-20-7-11-34(18-23(20)17-31)24-8-12-33(13-9-24)28(35)22-4-6-27-21(16-22)2-1-10-32-27/h1-6,10,15-16,20,23-24H,7-9,11-14,17-18H2/t20-,23-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line |
Bioorg Med Chem Lett 15: 1375-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS |
More data for this
Ligand-Target Pair | |
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