BindingDB logo
myBDB logout

144 similar compounds to monomer 50067499

Compile data set for download or QSAR
Wt: 314.4
BDBM86515
Purchase
Wt: 356.5
BDBM84917
Wt: 330.4
BDBM84922
Wt: 330.4
BDBM84880
Wt: 356.5
BDBM84886
Wt: 386.5
BDBM84889
Wt: 400.5
BDBM84891
Wt: 385.5
BDBM84892
Wt: 328.4
BDBM84893
Wt: 332.4
BDBM84895
Wt: 440.3
BDBM84898
Wt: 386.5
BDBM84905
Wt: 413.6
BDBM84906
Wt: 344.4
BDBM84908
Wt: 330.4
BDBM84909
Purchase
Displayed 1 to 15 (of 143 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 86515,84917,84922,84880,84886,84889,84891,84892,84893,84895,84898,84905,84906,84908,84909   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM84905
PNG
(THC-DMH, (-)-11-OH)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@H]3C=C(CO)CC[C@@H]3C(C)(C)Oc2c1
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/h13-15,19-20,26-27H,6-12,16H2,1-5H3/t19-,20-/m0/s1
PDB

Reactome pathway
KEGG

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
0.720n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 218-26 (1993)


BindingDB Entry DOI: 10.7270/Q2HH6HM0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM84898
PNG
(THC, 5'-I)
Show SMILES CC1=C[C@@H]2[C@@H](CC1)C(C)(C)Oc1cc(CCCCCI)cc(O)c21
Show InChI InChI=1S/C21H29IO2/c1-14-8-9-17-16(11-14)20-18(23)12-15(7-5-4-6-10-22)13-19(20)24-21(17,2)3/h11-13,16-17,23H,4-10H2,1-3H3/t16-,17-/m1/s1
PDB

Reactome pathway
KEGG

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
7.77n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 218-26 (1993)


BindingDB Entry DOI: 10.7270/Q2HH6HM0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86515
PNG
(CAS_1972-08-3 | NSC_16078 | THC, delta 9 | US94161...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CCC3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
13.7n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 620-32 (2004)


Article DOI: 10.1124/jpet.103.062836
BindingDB Entry DOI: 10.7270/Q2N0154R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86515
PNG
(CAS_1972-08-3 | NSC_16078 | THC, delta 9 | US94161...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CCC3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
22.9n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 620-32 (2004)


Article DOI: 10.1124/jpet.103.062836
BindingDB Entry DOI: 10.7270/Q2N0154R
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM84909
PNG
(THC, 11-OH-delta 9)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(CO)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h10-12,16-17,22-23H,4-9,13H2,1-3H3/t16-,17-/m1/s1
PDB

Reactome pathway
KEGG

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PubMed
38.4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 218-26 (1993)


BindingDB Entry DOI: 10.7270/Q2HH6HM0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM84889
PNG
(THC, 11-OH-delta 8 | THC-DMH, (+)-11-OH)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3C=C(CO)CC[C@H]3C(C)(C)Oc2c1
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/h13-15,19-20,26-27H,6-12,16H2,1-5H3/t19-,20-/m1/s1
PDB

Reactome pathway
KEGG

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
54.9n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 218-26 (1993)


BindingDB Entry DOI: 10.7270/Q2HH6HM0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM84895
PNG
(THC, 5'-F)
Show SMILES CC1=C[C@@H]2[C@@H](CC1)C(C)(C)Oc1cc(CCCCCF)cc(O)c21
Show InChI InChI=1S/C21H29FO2/c1-14-8-9-17-16(11-14)20-18(23)12-15(7-5-4-6-10-22)13-19(20)24-21(17,2)3/h11-13,16-17,23H,4-10H2,1-3H3/t16-,17-/m1/s1
PDB

Reactome pathway
KEGG

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
57n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 218-26 (1993)


BindingDB Entry DOI: 10.7270/Q2HH6HM0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM84880
PNG
(THC, 8 beta-OH)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)[C@H](O)C[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30O3/c1-5-6-7-8-14-10-18(23)20-15-9-13(2)17(22)12-16(15)21(3,4)24-19(20)11-14/h9-11,15-17,22-23H,5-8,12H2,1-4H3/t15-,16-,17-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
65n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM86515
PNG
(CAS_1972-08-3 | NSC_16078 | THC, delta 9 | US94161...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CCC3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3
PDB

Reactome pathway
KEGG

GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
69.7n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 620-32 (2004)


Article DOI: 10.1124/jpet.103.062836
BindingDB Entry DOI: 10.7270/Q2N0154R
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM84922
PNG
(THC, 5'-OH)
Show SMILES CC1=C[C@@H]2[C@@H](CC1)C(C)(C)Oc1cc(CCCCCO)cc(O)c21
Show InChI InChI=1S/C21H30O3/c1-14-8-9-17-16(11-14)20-18(23)12-15(7-5-4-6-10-22)13-19(20)24-21(17,2)3/h11-13,16-17,22-23H,4-10H2,1-3H3/t16-,17-/m1/s1
PDB

Reactome pathway
KEGG

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
87.6n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 218-26 (1993)


BindingDB Entry DOI: 10.7270/Q2HH6HM0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM84880
PNG
(THC, 8 beta-OH)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)[C@H](O)C[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30O3/c1-5-6-7-8-14-10-18(23)20-15-9-13(2)17(22)12-16(15)21(3,4)24-19(20)11-14/h9-11,15-17,22-23H,5-8,12H2,1-4H3/t15-,16-,17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
88n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from full length human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysi...


J Nat Prod 78: 1271-6 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00065
BindingDB Entry DOI: 10.7270/Q2SQ923K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM84880
PNG
(THC, 8 beta-OH)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)[C@H](O)C[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30O3/c1-5-6-7-8-14-10-18(23)20-15-9-13(2)17(22)12-16(15)21(3,4)24-19(20)11-14/h9-11,15-17,22-23H,5-8,12H2,1-4H3/t15-,16-,17-/m1/s1
PDB

Reactome pathway
KEGG

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
820n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 218-26 (1993)


BindingDB Entry DOI: 10.7270/Q2HH6HM0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM84893
PNG
(THC, 1-O-methyl-delta 9,11)
Show SMILES CCCCCc1cc(OC)c2[C@@H]3CC(=C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H32O2/c1-6-7-8-9-16-13-19(23-5)21-17-12-15(2)10-11-18(17)22(3,4)24-20(21)14-16/h13-14,17-18H,2,6-12H2,1,3-5H3/t17-,18-/m1/s1
PDB

Reactome pathway
KEGG

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
827n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 218-26 (1993)


BindingDB Entry DOI: 10.7270/Q2HH6HM0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM84886
PNG
(THC, 3-(Norpentyl)-3-propyl)
Show SMILES CCCC(CC)CCc1cc(O)c2[C@@H]3CC(=C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O2/c1-6-8-17(7-2)10-11-18-14-21(25)23-19-13-16(3)9-12-20(19)24(4,5)26-22(23)15-18/h14-15,17,19-20,25H,3,6-13H2,1-2,4-5H3/t17?,19-,20-/m1/s1
PDB

Reactome pathway
KEGG

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
968n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 218-26 (1993)


BindingDB Entry DOI: 10.7270/Q2HH6HM0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM84906
PNG
(THC, 1-O-(6-Aminohexyl))
Show SMILES CCCCCc1cc(OCCCCCCN)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C27H43NO2/c1-5-6-9-12-21-18-24(29-16-11-8-7-10-15-28)26-22-17-20(2)13-14-23(22)27(3,4)30-25(26)19-21/h17-19,22-23H,5-16,28H2,1-4H3/t22-,23-/m1/s1
PDB

Reactome pathway
KEGG

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
1.73E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 218-26 (1993)


BindingDB Entry DOI: 10.7270/Q2HH6HM0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM84889
PNG
(THC, 11-OH-delta 8 | THC-DMH, (+)-11-OH)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3C=C(CO)CC[C@H]3C(C)(C)Oc2c1
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/h13-15,19-20,26-27H,6-12,16H2,1-5H3/t19-,20-/m1/s1
PDB

Reactome pathway
KEGG

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
1.99E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 218-26 (1993)


BindingDB Entry DOI: 10.7270/Q2HH6HM0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM84891
PNG
(THC, 1-O-Methyl-delta 8)
Show SMILES CCCCCCC(C)(C)c1cc(OC)c2[C@@H]3C=C(CO)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H40O3/c1-7-8-9-10-13-25(2,3)19-15-22(28-6)24-20-14-18(17-27)11-12-21(20)26(4,5)29-23(24)16-19/h14-16,20-21,27H,7-13,17H2,1-6H3/t20-,21-/m1/s1
PDB

Reactome pathway
KEGG

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
2.17E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 218-26 (1993)


BindingDB Entry DOI: 10.7270/Q2HH6HM0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM84908
PNG
(THC, O, 10-Methano)
Show SMILES CCCCCc1cc(O)c2[C@H]3[C@@H](CCC(C)=C3CO)C(C)(C)Oc2c1
Show InChI InChI=1S/C22H32O3/c1-5-6-7-8-15-11-18(24)21-19(12-15)25-22(3,4)17-10-9-14(2)16(13-23)20(17)21/h11-12,17,20,23-24H,5-10,13H2,1-4H3/t17-,20-/m1/s1
PDB

Reactome pathway
KEGG

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 218-26 (1993)


BindingDB Entry DOI: 10.7270/Q2HH6HM0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM84892
PNG
(THC, 1-O-(4-Aminobutyl))
Show SMILES CCCCCc1cc(OCCCCN)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H39NO2/c1-5-6-7-10-19-16-22(27-14-9-8-13-26)24-20-15-18(2)11-12-21(20)25(3,4)28-23(24)17-19/h15-17,20-21H,5-14,26H2,1-4H3/t20-,21-/m1/s1
PDB

Reactome pathway
KEGG

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 218-26 (1993)


BindingDB Entry DOI: 10.7270/Q2HH6HM0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM84917
PNG
(THC, O, 2-propano)
Show SMILES CCCCCc1cc(OC(C)C)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O2/c1-7-8-9-10-18-14-21(25-16(2)3)23-19-13-17(4)11-12-20(19)24(5,6)26-22(23)15-18/h13-16,19-20H,7-12H2,1-6H3/t19-,20-/m1/s1
PDB

Reactome pathway
KEGG

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 218-26 (1993)


BindingDB Entry DOI: 10.7270/Q2HH6HM0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM84889
PNG
(THC, 11-OH-delta 8 | THC-DMH, (+)-11-OH)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3C=C(CO)CC[C@H]3C(C)(C)Oc2c1
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/h13-15,19-20,26-27H,6-12,16H2,1-5H3/t19-,20-/m1/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 0.730n/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein


J Med Chem 60: 2287-2304 (2017)

More data for this
Ligand-Target Pair