Found 342 hits with Last Name = 'kaur' and Initial = 's' 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)) | BDBM50600964
(CHEMBL5181335)Show SMILES Cc1s\c(=N/C(=O)C2C(C)(C)C2(C)C)n(CCCC[18F])c1C | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.400 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50600966
(CHEMBL5205138)Show SMILES [2H]C([2H])([18F])C([2H])([2H])C([2H])([2H])OC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(C2)OC)c(OC[C@H]2C[C@@H]2CO)n1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.600 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50600961
(CHEMBL5198892)Show SMILES FCCCCn1c2ncccc2cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:16:17:20:23.24.22,THB:25:17:20:23.24.22,25:23:20:26.17.18,22:21:18:25.23.24,22:23:20.21.26:18| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.600 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50600965
(CHEMBL5182619)Show SMILES COc1cccc2c1n(CCOCCC[18F])cc(C(=O)NC13CC4CC(CC(C4)C1)C3)c2=O |TLB:24:25:23.22.28:29,THB:24:23:29:30.25.26,26:25:22:28.27.29,26:27:30.25.24:22| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50600962
(CHEMBL5186632)Show SMILES Fc1ccc(Cn2c3ncccc3cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2=O)cc1 |TLB:21:22:20.19.25:26,THB:21:20:26:27.22.23,23:22:19:25.24.26,23:24:27.22.21:19| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50029958
(CHEMBL3353439)Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(Br)cnc2n(Cc2ccc(F)cc2)c1=O |(16.02,-5.47,;14.69,-6.25,;14.69,-7.79,;13.37,-8.56,;12.03,-7.79,;12.02,-6.26,;13.35,-5.48,;10.7,-8.57,;9.36,-7.8,;9.35,-6.26,;8.03,-8.58,;6.69,-7.82,;5.37,-8.6,;4.03,-7.83,;2.7,-8.6,;1.37,-7.83,;2.7,-10.15,;4.04,-10.92,;5.37,-10.14,;6.7,-10.91,;6.71,-12.45,;8.04,-13.21,;8.04,-14.75,;9.37,-15.52,;10.71,-14.74,;12.04,-15.51,;10.7,-13.19,;9.36,-12.43,;8.04,-10.13,;9.38,-10.9,)| Show InChI InChI=1S/C23H23BrFN3O2/c1-14-2-8-19(9-3-14)27-22(29)20-11-16-10-17(24)12-26-21(16)28(23(20)30)13-15-4-6-18(25)7-5-15/h4-7,10-12,14,19H,2-3,8-9,13H2,1H3,(H,27,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50600942
(CHEMBL5173419)Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cc(cnc2n(Cc2cccc(F)c2)c1=O)-c1ccco1 |r,wD:4.7,1.0,(8.58,5,;7.24,4.23,;5.91,5,;4.57,4.23,;4.57,2.69,;5.91,1.92,;7.24,2.69,;3.24,1.92,;1.91,2.69,;1.91,4.23,;.58,1.92,;-.76,2.69,;-2.09,1.93,;-3.42,2.7,;-4.75,1.93,;-4.75,.38,;-3.42,-.38,;-2.09,.39,;-.75,-.39,;-.75,-1.93,;.58,-2.7,;.58,-4.24,;1.92,-5,;3.25,-4.24,;3.25,-2.69,;4.58,-1.93,;1.92,-1.93,;.58,.39,;1.91,-.38,;-6.09,2.7,;-6.42,4.19,;-7.96,4.36,;-8.58,2.99,;-7.42,1.93,)| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50600948
(CHEMBL5199801)Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cc(cnc2n(CCCCF)c1=O)-c1ccco1 |r,wD:4.7,1.0,(8.55,5.78,;7.22,5.01,;5.88,5.78,;4.55,5.01,;4.55,3.47,;5.88,2.7,;7.22,3.47,;3.21,2.7,;1.88,3.47,;1.88,5.01,;.55,2.7,;-.79,3.46,;-2.12,2.7,;-3.45,3.47,;-4.78,2.7,;-4.78,1.15,;-3.44,.39,;-2.12,1.16,;-.78,.39,;-.78,-1.15,;-2.11,-1.92,;-2.11,-3.47,;-3.45,-4.24,;-3.45,-5.78,;.55,1.16,;1.88,.39,;-6.11,3.47,;-6.27,5,;-7.78,5.32,;-8.55,3.99,;-7.52,2.84,)| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50600963
(CHEMBL5183565)Show SMILES FCCOCCn1c2ncccc2cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:21:22:20.19.25:26,THB:21:20:26:27.22.23,23:22:19:25.24.26,23:24:27.22.21:19| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.90 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50600950
(CHEMBL5195027)Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(Br)cnc2n(CCCCF)c1=O |(7.33,5.77,;6,5.01,;4.66,5.77,;3.33,5.01,;3.33,3.46,;4.66,2.69,;6,3.46,;2,2.69,;.66,3.46,;.66,5.01,;-.67,2.69,;-2.01,3.46,;-3.34,2.7,;-4.66,3.47,;-6,2.7,;-7.33,3.47,;-6,1.15,;-4.66,.39,;-3.34,1.16,;-2,.39,;-2,-1.15,;-3.33,-1.92,;-3.33,-3.46,;-4.66,-4.24,;-4.66,-5.77,;-.67,1.16,;.67,.39,)| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50029962
(CHEMBL3353450)Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cc(cnc2n(Cc2ccc(F)cc2)c1=O)-c1ccco1 |r,wU:4.7,1.0,(23.36,-18.24,;22.03,-19.01,;22.03,-20.55,;20.71,-21.32,;19.37,-20.55,;19.36,-19.02,;20.69,-18.24,;18.04,-21.33,;16.7,-20.57,;16.69,-19.03,;15.37,-21.34,;14.04,-20.58,;12.71,-21.36,;11.37,-20.59,;10.05,-21.36,;10.04,-22.91,;11.38,-23.68,;12.71,-22.9,;14.05,-23.67,;14.05,-25.21,;15.38,-25.97,;15.38,-27.51,;16.71,-28.28,;18.05,-27.5,;19.38,-28.27,;18.04,-25.96,;16.71,-25.2,;15.38,-22.89,;16.72,-23.66,;8.71,-20.59,;7.3,-21.22,;6.26,-20.08,;7.03,-18.74,;8.54,-19.06,)| Show InChI InChI=1S/C27H26FN3O3/c1-17-4-10-22(11-5-17)30-26(32)23-14-19-13-20(24-3-2-12-34-24)15-29-25(19)31(27(23)33)16-18-6-8-21(28)9-7-18/h2-3,6-9,12-15,17,22H,4-5,10-11,16H2,1H3,(H,30,32)/t17-,22+ | PDB
NCI pathway
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 |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50157638
(CHEMBL3787137)Show SMILES OC(Cn1cc(\C=C2/C(=O)Nc3ccccc23)c2ccccc12)Cn1cc(\C=C2/C(=O)Nc3ccccc23)c2ccccc12 Show InChI InChI=1S/C37H28N4O3/c42-25(21-40-19-23(26-9-3-7-15-34(26)40)17-30-28-11-1-5-13-32(28)38-36(30)43)22-41-20-24(27-10-4-8-16-35(27)41)18-31-29-12-2-6-14-33(29)39-37(31)44/h1-20,25,42H,21-22H2,(H,38,43)(H,39,44)/b30-17-,31-18- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Guru Nanak Dev University
Curated by ChEMBL
| Assay Description
Inhibition of human DHFR assessed as conversion of dihydrofolic acid to tetrahydrfolic acid by enzyme immunoassay in presence of NADPH |
Bioorg Med Chem Lett 26: 1936-40 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.015
BindingDB Entry DOI: 10.7270/Q2DB83RX |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50600941
(CHEMBL5173890)Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cccnc2n(CCCCF)c1=O |r,wD:4.7,1.0,(6.66,5.77,;5.33,5,;4,5.77,;2.66,5,;2.66,3.46,;4,2.69,;5.33,3.46,;1.33,2.69,;-0,3.46,;-0,5,;-1.33,2.69,;-2.67,3.46,;-4,2.7,;-5.33,3.47,;-6.66,2.7,;-6.66,1.15,;-5.33,.39,;-4,1.16,;-2.66,.39,;-2.66,-1.15,;-4,-1.92,;-4,-3.46,;-5.33,-4.23,;-5.33,-5.77,;-1.33,1.16,;-0,.39,)| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50312837
(CHEMBL1081610 | [11C]8-butoxy-N-cyclohexyl-7-metho...)Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NC3CCCCC3)c(=O)[nH]c12 Show InChI InChI=1S/C21H28N2O4/c1-3-4-12-27-19-17(26-2)11-10-14-13-16(21(25)23-18(14)19)20(24)22-15-8-6-5-7-9-15/h10-11,13,15H,3-9,12H2,1-2H3,(H,22,24)(H,23,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50600953
(CHEMBL5181324)Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cccnc2n(CCOCCF)c1=O |r,wD:4.7,1.0,(6.66,6.16,;5.33,5.39,;4,6.16,;2.66,5.39,;2.66,3.85,;4,3.08,;5.33,3.85,;1.33,3.08,;-0,3.85,;-0,5.39,;-1.34,3.08,;-2.67,3.85,;-4,3.08,;-5.33,3.85,;-6.66,3.08,;-6.66,1.54,;-5.33,.77,;-4,1.54,;-2.66,.77,;-2.66,-.77,;-4,-1.54,;-4,-3.08,;-5.33,-3.85,;-5.33,-5.39,;-6.66,-6.16,;-1.33,1.55,;-0,.78,)| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 13 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50600946
(CHEMBL5185306)Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cc(cnc2n(CCCF)c1=O)-c1ccco1 |r,wD:4.7,1.0,(8.58,5,;7.24,4.23,;5.91,5,;4.57,4.23,;4.57,2.69,;5.91,1.92,;7.24,2.69,;3.24,1.92,;1.91,2.69,;1.91,4.23,;.57,1.92,;-.76,2.69,;-2.09,1.93,;-3.42,2.7,;-4.75,1.93,;-4.75,.38,;-3.42,-.38,;-2.09,.39,;-.75,-.38,;-.75,-1.92,;-2.09,-2.69,;-2.09,-4.23,;-3.42,-5,;.58,.39,;1.91,-.38,;-6.09,2.7,;-6.42,4.19,;-7.96,4.36,;-8.58,2.99,;-7.42,1.93,)| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 28 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50600949
(CHEMBL5181748)Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cc(cnc2n(CCCCF)c1=O)-c1ccco1 |r,wU:1.0,wD:4.7,(8.58,5.77,;7.24,5,;7.24,3.46,;5.91,2.69,;4.57,3.46,;4.57,5,;5.91,5.77,;3.24,2.69,;1.91,3.46,;1.91,5,;.57,2.69,;-.76,3.46,;-2.09,2.7,;-3.42,3.47,;-4.75,2.7,;-4.75,1.15,;-3.42,.39,;-2.09,1.16,;-.75,.39,;-.75,-1.15,;-2.09,-1.92,;-2.09,-3.46,;-3.42,-4.23,;-3.42,-5.77,;.58,1.16,;1.91,.39,;-6.09,3.47,;-6.42,4.96,;-7.96,5.13,;-8.58,3.76,;-7.42,2.7,)| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 49 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50600944
(CHEMBL5169843)Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cc(cnc2n(Cc2ccccc2F)c1=O)-c1ccco1 |r,wD:4.7,1.0,(8.58,5.01,;7.24,4.24,;5.91,5.01,;4.57,4.24,;4.57,2.7,;5.91,1.93,;7.24,2.7,;3.24,1.93,;1.91,2.7,;1.91,4.24,;.58,1.93,;-.76,2.7,;-2.09,1.93,;-3.42,2.7,;-4.75,1.93,;-4.75,.38,;-3.42,-.38,;-2.09,.39,;-.75,-.38,;-.75,-1.92,;.58,-2.69,;1.92,-1.92,;3.25,-2.69,;3.25,-4.23,;1.92,-5,;.58,-4.24,;-.75,-5.01,;.58,.4,;1.91,-.37,;-6.09,2.7,;-6.42,4.2,;-7.96,4.37,;-8.58,3,;-7.42,1.93,)| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 65 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50029961
(CHEMBL3353449)Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cc(cnc2n(Cc2ccc(F)cc2)c1=O)-c1ccco1 |r,wU:4.7,wD:1.0,(23.36,-18.24,;22.03,-19.01,;20.69,-18.24,;19.36,-19.02,;19.37,-20.55,;20.71,-21.32,;22.03,-20.55,;18.04,-21.33,;16.7,-20.57,;16.69,-19.03,;15.37,-21.34,;14.04,-20.58,;12.71,-21.36,;11.37,-20.59,;10.05,-21.36,;10.04,-22.91,;11.38,-23.68,;12.71,-22.9,;14.05,-23.67,;14.05,-25.21,;15.38,-25.97,;15.38,-27.51,;16.71,-28.28,;18.05,-27.5,;19.38,-28.27,;18.04,-25.96,;16.71,-25.2,;15.38,-22.89,;16.72,-23.66,;8.71,-20.59,;7.3,-21.22,;6.26,-20.08,;7.03,-18.74,;8.54,-19.06,)| Show InChI InChI=1S/C27H26FN3O3/c1-17-4-10-22(11-5-17)30-26(32)23-14-19-13-20(24-3-2-12-34-24)15-29-25(19)31(27(23)33)16-18-6-8-21(28)9-7-18/h2-3,6-9,12-15,17,22H,4-5,10-11,16H2,1H3,(H,30,32)/t17-,22- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 86 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50600951
(CHEMBL5184679)Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cccnc2n(CCCF)c1=O |r,wD:4.7,1.0,(6.66,5,;5.33,4.23,;4,5,;2.66,4.23,;2.66,2.69,;4,1.93,;5.33,2.69,;1.33,1.93,;-0,2.69,;-0,4.23,;-1.34,1.93,;-2.67,2.69,;-4,1.93,;-5.33,2.7,;-6.66,1.93,;-6.66,.38,;-5.33,-.38,;-4,.39,;-2.66,-.38,;-2.66,-1.92,;-4,-2.69,;-4,-4.23,;-5.33,-5,;-1.33,.39,;-0,-.38,)| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 115 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50029958
(CHEMBL3353439)Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(Br)cnc2n(Cc2ccc(F)cc2)c1=O |(16.02,-5.47,;14.69,-6.25,;14.69,-7.79,;13.37,-8.56,;12.03,-7.79,;12.02,-6.26,;13.35,-5.48,;10.7,-8.57,;9.36,-7.8,;9.35,-6.26,;8.03,-8.58,;6.69,-7.82,;5.37,-8.6,;4.03,-7.83,;2.7,-8.6,;1.37,-7.83,;2.7,-10.15,;4.04,-10.92,;5.37,-10.14,;6.7,-10.91,;6.71,-12.45,;8.04,-13.21,;8.04,-14.75,;9.37,-15.52,;10.71,-14.74,;12.04,-15.51,;10.7,-13.19,;9.36,-12.43,;8.04,-10.13,;9.38,-10.9,)| Show InChI InChI=1S/C23H23BrFN3O2/c1-14-2-8-19(9-3-14)27-22(29)20-11-16-10-17(24)12-26-21(16)28(23(20)30)13-15-4-6-18(25)7-5-15/h4-7,10-12,14,19H,2-3,8-9,13H2,1H3,(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >155 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50600954
(CHEMBL5177464)Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cccnc2n(CCOCCF)c1=O |r,wU:1.0,wD:4.7,(6.66,6.16,;5.33,5.39,;5.33,3.85,;4,3.08,;2.66,3.85,;2.66,5.39,;4,6.16,;1.33,3.08,;-0,3.85,;-0,5.39,;-1.34,3.08,;-2.67,3.85,;-4,3.08,;-5.33,3.85,;-6.66,3.08,;-6.66,1.54,;-5.33,.77,;-4,1.54,;-2.66,.77,;-2.66,-.77,;-4,-1.54,;-4,-3.08,;-5.33,-3.85,;-5.33,-5.39,;-6.66,-6.16,;-1.33,1.55,;-0,.78,)| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 780 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50029962
(CHEMBL3353450)Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cc(cnc2n(Cc2ccc(F)cc2)c1=O)-c1ccco1 |r,wU:4.7,1.0,(23.36,-18.24,;22.03,-19.01,;22.03,-20.55,;20.71,-21.32,;19.37,-20.55,;19.36,-19.02,;20.69,-18.24,;18.04,-21.33,;16.7,-20.57,;16.69,-19.03,;15.37,-21.34,;14.04,-20.58,;12.71,-21.36,;11.37,-20.59,;10.05,-21.36,;10.04,-22.91,;11.38,-23.68,;12.71,-22.9,;14.05,-23.67,;14.05,-25.21,;15.38,-25.97,;15.38,-27.51,;16.71,-28.28,;18.05,-27.5,;19.38,-28.27,;18.04,-25.96,;16.71,-25.2,;15.38,-22.89,;16.72,-23.66,;8.71,-20.59,;7.3,-21.22,;6.26,-20.08,;7.03,-18.74,;8.54,-19.06,)| Show InChI InChI=1S/C27H26FN3O3/c1-17-4-10-22(11-5-17)30-26(32)23-14-19-13-20(24-3-2-12-34-24)15-29-25(19)31(27(23)33)16-18-6-8-21(28)9-7-18/h2-3,6-9,12-15,17,22H,4-5,10-11,16H2,1H3,(H,30,32)/t17-,22+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 915 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50600960
(CHEMBL5208223) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50600961
(CHEMBL5198892)Show SMILES FCCCCn1c2ncccc2cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:16:17:20:23.24.22,THB:25:17:20:23.24.22,25:23:20:26.17.18,22:21:18:25.23.24,22:23:20.21.26:18| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50600941
(CHEMBL5173890)Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cccnc2n(CCCCF)c1=O |r,wD:4.7,1.0,(6.66,5.77,;5.33,5,;4,5.77,;2.66,5,;2.66,3.46,;4,2.69,;5.33,3.46,;1.33,2.69,;-0,3.46,;-0,5,;-1.33,2.69,;-2.67,3.46,;-4,2.7,;-5.33,3.47,;-6.66,2.7,;-6.66,1.15,;-5.33,.39,;-4,1.16,;-2.66,.39,;-2.66,-1.15,;-4,-1.92,;-4,-3.46,;-5.33,-4.23,;-5.33,-5.77,;-1.33,1.16,;-0,.39,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50600959
(CHEMBL5177747) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50600963
(CHEMBL5183565)Show SMILES FCCOCCn1c2ncccc2cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:21:22:20.19.25:26,THB:21:20:26:27.22.23,23:22:19:25.24.26,23:24:27.22.21:19| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50600957
(CHEMBL5170046) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50600962
(CHEMBL5186632)Show SMILES Fc1ccc(Cn2c3ncccc3cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2=O)cc1 |TLB:21:22:20.19.25:26,THB:21:20:26:27.22.23,23:22:19:25.24.26,23:24:27.22.21:19| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50600958
(CHEMBL5186106) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.10E+3 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50600955
(CHEMBL5192937) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.20E+3 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50600956
(CHEMBL5172791) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.90E+3 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50600952
(CHEMBL5197094)Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cccnc2n(CCCF)c1=O |r,wU:1.0,wD:4.7,(6.66,5,;5.33,4.23,;5.33,2.69,;4,1.92,;2.66,2.69,;2.66,4.23,;4,5,;1.33,1.92,;-0,2.69,;-0,4.23,;-1.34,1.92,;-2.67,2.69,;-4,1.93,;-5.33,2.7,;-6.66,1.93,;-6.66,.38,;-5.33,-.38,;-4,.39,;-2.66,-.38,;-2.66,-1.92,;-4,-2.69,;-4,-4.23,;-5.33,-5,;-1.33,.39,;-0,-.38,)| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.60E+3 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50600943
(CHEMBL5170143)Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cc(cnc2n(Cc2cccc(F)c2)c1=O)-c1ccco1 |r,wU:1.0,wD:4.7,(8.58,5,;7.24,4.23,;7.24,2.69,;5.91,1.92,;4.57,2.69,;4.57,4.23,;5.91,5,;3.24,1.92,;1.91,2.69,;1.91,4.23,;.58,1.92,;-.76,2.69,;-2.09,1.93,;-3.42,2.7,;-4.75,1.93,;-4.75,.38,;-3.42,-.38,;-2.09,.39,;-.75,-.39,;-.75,-1.93,;.58,-2.7,;.58,-4.24,;1.92,-5,;3.25,-4.24,;3.25,-2.69,;4.58,-1.92,;1.92,-1.93,;.58,.39,;1.91,-.38,;-6.09,2.7,;-6.42,4.19,;-7.96,4.36,;-8.58,2.99,;-7.42,1.93,)| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.00E+3 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50600947
(CHEMBL5199066)Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cc(cnc2n(CCCF)c1=O)-c1ccco1 |r,wU:1.0,wD:4.7,(8.58,5,;7.24,4.23,;7.24,2.69,;5.91,1.92,;4.57,2.69,;4.57,4.23,;5.91,5,;3.24,1.92,;1.91,2.69,;1.91,4.23,;.57,1.92,;-.76,2.69,;-2.09,1.93,;-3.42,2.7,;-4.75,1.93,;-4.75,.38,;-3.42,-.38,;-2.09,.39,;-.75,-.38,;-.75,-1.92,;-2.09,-2.69,;-2.09,-4.23,;-3.42,-5,;.58,.39,;1.91,-.38,;-6.09,2.7,;-6.42,4.19,;-7.96,4.36,;-8.58,2.99,;-7.42,1.93,)| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.80E+3 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50600955
(CHEMBL5192937) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50600956
(CHEMBL5172791) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50600957
(CHEMBL5170046) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50600958
(CHEMBL5186106) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50600959
(CHEMBL5177747) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50600960
(CHEMBL5208223) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50600945
(CHEMBL5182420)Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cc(cnc2n(Cc2ccccc2F)c1=O)-c1ccco1 |r,wU:1.0,wD:4.7,(8.58,5.01,;7.24,4.24,;7.24,2.7,;5.91,1.93,;4.57,2.7,;4.57,4.24,;5.91,5.01,;3.24,1.93,;1.91,2.7,;1.91,4.24,;.58,1.93,;-.76,2.7,;-2.09,1.93,;-3.42,2.7,;-4.75,1.93,;-4.75,.38,;-3.42,-.38,;-2.09,.39,;-.75,-.38,;-.75,-1.92,;.58,-2.69,;1.92,-1.92,;3.25,-2.69,;3.25,-4.23,;1.92,-5,;.58,-4.24,;-.75,-5.01,;.58,.4,;1.91,-.37,;-6.09,2.7,;-6.42,4.2,;-7.96,4.37,;-8.58,3,;-7.42,1.93,)| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50600953
(CHEMBL5181324)Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cccnc2n(CCOCCF)c1=O |r,wD:4.7,1.0,(6.66,6.16,;5.33,5.39,;4,6.16,;2.66,5.39,;2.66,3.85,;4,3.08,;5.33,3.85,;1.33,3.08,;-0,3.85,;-0,5.39,;-1.34,3.08,;-2.67,3.85,;-4,3.08,;-5.33,3.85,;-6.66,3.08,;-6.66,1.54,;-5.33,.77,;-4,1.54,;-2.66,.77,;-2.66,-.77,;-4,-1.54,;-4,-3.08,;-5.33,-3.85,;-5.33,-5.39,;-6.66,-6.16,;-1.33,1.55,;-0,.78,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50600942
(CHEMBL5173419)Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cc(cnc2n(Cc2cccc(F)c2)c1=O)-c1ccco1 |r,wD:4.7,1.0,(8.58,5,;7.24,4.23,;5.91,5,;4.57,4.23,;4.57,2.69,;5.91,1.92,;7.24,2.69,;3.24,1.92,;1.91,2.69,;1.91,4.23,;.58,1.92,;-.76,2.69,;-2.09,1.93,;-3.42,2.7,;-4.75,1.93,;-4.75,.38,;-3.42,-.38,;-2.09,.39,;-.75,-.39,;-.75,-1.93,;.58,-2.7,;.58,-4.24,;1.92,-5,;3.25,-4.24,;3.25,-2.69,;4.58,-1.93,;1.92,-1.93,;.58,.39,;1.91,-.38,;-6.09,2.7,;-6.42,4.19,;-7.96,4.36,;-8.58,2.99,;-7.42,1.93,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50600950
(CHEMBL5195027)Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(Br)cnc2n(CCCCF)c1=O |(7.33,5.77,;6,5.01,;4.66,5.77,;3.33,5.01,;3.33,3.46,;4.66,2.69,;6,3.46,;2,2.69,;.66,3.46,;.66,5.01,;-.67,2.69,;-2.01,3.46,;-3.34,2.7,;-4.66,3.47,;-6,2.7,;-7.33,3.47,;-6,1.15,;-4.66,.39,;-3.34,1.16,;-2,.39,;-2,-1.15,;-3.33,-1.92,;-3.33,-3.46,;-4.66,-4.24,;-4.66,-5.77,;-.67,1.16,;.67,.39,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50600944
(CHEMBL5169843)Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cc(cnc2n(Cc2ccccc2F)c1=O)-c1ccco1 |r,wD:4.7,1.0,(8.58,5.01,;7.24,4.24,;5.91,5.01,;4.57,4.24,;4.57,2.7,;5.91,1.93,;7.24,2.7,;3.24,1.93,;1.91,2.7,;1.91,4.24,;.58,1.93,;-.76,2.7,;-2.09,1.93,;-3.42,2.7,;-4.75,1.93,;-4.75,.38,;-3.42,-.38,;-2.09,.39,;-.75,-.38,;-.75,-1.92,;.58,-2.69,;1.92,-1.92,;3.25,-2.69,;3.25,-4.23,;1.92,-5,;.58,-4.24,;-.75,-5.01,;.58,.4,;1.91,-.37,;-6.09,2.7,;-6.42,4.2,;-7.96,4.37,;-8.58,3,;-7.42,1.93,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50600946
(CHEMBL5185306)Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cc(cnc2n(CCCF)c1=O)-c1ccco1 |r,wD:4.7,1.0,(8.58,5,;7.24,4.23,;5.91,5,;4.57,4.23,;4.57,2.69,;5.91,1.92,;7.24,2.69,;3.24,1.92,;1.91,2.69,;1.91,4.23,;.57,1.92,;-.76,2.69,;-2.09,1.93,;-3.42,2.7,;-4.75,1.93,;-4.75,.38,;-3.42,-.38,;-2.09,.39,;-.75,-.38,;-.75,-1.92,;-2.09,-2.69,;-2.09,-4.23,;-3.42,-5,;.58,.39,;1.91,-.38,;-6.09,2.7,;-6.42,4.19,;-7.96,4.36,;-8.58,2.99,;-7.42,1.93,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50600948
(CHEMBL5199801)Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cc(cnc2n(CCCCF)c1=O)-c1ccco1 |r,wD:4.7,1.0,(8.55,5.78,;7.22,5.01,;5.88,5.78,;4.55,5.01,;4.55,3.47,;5.88,2.7,;7.22,3.47,;3.21,2.7,;1.88,3.47,;1.88,5.01,;.55,2.7,;-.79,3.46,;-2.12,2.7,;-3.45,3.47,;-4.78,2.7,;-4.78,1.15,;-3.44,.39,;-2.12,1.16,;-.78,.39,;-.78,-1.15,;-2.11,-1.92,;-2.11,-3.47,;-3.45,-4.24,;-3.45,-5.78,;.55,1.16,;1.88,.39,;-6.11,3.47,;-6.27,5,;-7.78,5.32,;-8.55,3.99,;-7.52,2.84,)| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | 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.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50600961
(CHEMBL5198892)Show SMILES FCCCCn1c2ncccc2cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:16:17:20:23.24.22,THB:25:17:20:23.24.22,25:23:20:26.17.18,22:21:18:25.23.24,22:23:20.21.26:18| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ |
More data for this
Ligand-Target Pair | |
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