BDBM50000729 (+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol::(R)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol::6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol::CHEMBL10883::THC, delta 9::Tetrahydrocannabinol

SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(C)(C)Oc2c1

InChI Key InChIKey=CYQFCXCEBYINGO-ZYMOGRSISA-N

Data  21 KI

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50000729   

TargetCannabinoid receptor 2(MOUSE)
Japan Tobacco Inc

Curated by PDSP Ki Database
LigandPNGBDBM50000729((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(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/t16?,17-/m1/s1
Affinity DataKi:  1.73nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Japan Tobacco Inc

Curated by PDSP Ki Database
LigandPNGBDBM50000729((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(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/t16?,17-/m1/s1
Affinity DataKi:  3.13nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Japan Tobacco Inc

Curated by PDSP Ki Database
LigandPNGBDBM50000729((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(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/t16?,17-/m1/s1
Affinity DataKi:  5.05nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCannabinoid receptor 2(Rattus norvegicus (Rat))
Japan Tobacco Inc

Curated by PDSP Ki Database
LigandPNGBDBM50000729((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(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/t16?,17-/m1/s1
Affinity DataKi:  6.80nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Japan Tobacco Inc

Curated by PDSP Ki Database
LigandPNGBDBM50000729((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(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/t16?,17-/m1/s1
Affinity DataKi:  8.33nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Japan Tobacco Inc

Curated by PDSP Ki Database
LigandPNGBDBM50000729((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(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/t16?,17-/m1/s1
Affinity DataKi:  13.5nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Japan Tobacco Inc

Curated by PDSP Ki Database
LigandPNGBDBM50000729((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(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/t16?,17-/m1/s1
Affinity DataKi:  15.3nMMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Japan Tobacco Inc

Curated by PDSP Ki Database
LigandPNGBDBM50000729((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(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/t16?,17-/m1/s1
Affinity DataKi:  25.1nMMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Japan Tobacco Inc

Curated by PDSP Ki Database
LigandPNGBDBM50000729((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(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/t16?,17-/m1/s1
Affinity DataKi:  27.3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCannabinoid receptor 2(Rattus norvegicus (Rat))
Japan Tobacco Inc

Curated by PDSP Ki Database
LigandPNGBDBM50000729((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(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/t16?,17-/m1/s1
Affinity DataKi:  28.3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Japan Tobacco Inc

Curated by PDSP Ki Database
LigandPNGBDBM50000729((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(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/t16?,17-/m1/s1
Affinity DataKi:  32nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Japan Tobacco Inc

Curated by PDSP Ki Database
LigandPNGBDBM50000729((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(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/t16?,17-/m1/s1
Affinity DataKi:  37nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Japan Tobacco Inc

Curated by PDSP Ki Database
LigandPNGBDBM50000729((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(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/t16?,17-/m1/s1
Affinity DataKi:  38nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Japan Tobacco Inc

Curated by PDSP Ki Database
LigandPNGBDBM50000729((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(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/t16?,17-/m1/s1
Affinity DataKi:  40.7nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Japan Tobacco Inc

Curated by PDSP Ki Database
LigandPNGBDBM50000729((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(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/t16?,17-/m1/s1
Affinity DataKi:  41nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Japan Tobacco Inc

Curated by PDSP Ki Database
LigandPNGBDBM50000729((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(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/t16?,17-/m1/s1
Affinity DataKi:  44.9nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Japan Tobacco Inc

Curated by PDSP Ki Database
LigandPNGBDBM50000729((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(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/t16?,17-/m1/s1
Affinity DataKi:  110nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Japan Tobacco Inc

Curated by PDSP Ki Database
LigandPNGBDBM50000729((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(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/t16?,17-/m1/s1
Affinity DataKi:  130nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Japan Tobacco Inc

Curated by PDSP Ki Database
LigandPNGBDBM50000729((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(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/t16?,17-/m1/s1
Affinity DataKi:  170nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCannabinoid receptor 1(Rattus norvegicus (rat))
Japan Tobacco Inc

Curated by PDSP Ki Database
LigandPNGBDBM50000729((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(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/t16?,17-/m1/s1
Affinity DataKi:  1.60E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM50000729((+)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro...)
Show SMILES CCCCCc1cc(O)c2C3C=C(C)CC[C@H]3C(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/t16?,17-/m1/s1
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair