null

SMILES: OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1csc(n1)-c1ccncc1)c1ccccc1

InChI Key: InChIKey=VUJYIIWLRJBFNL-IRJALKPHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50341920   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50341920 (((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...) Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1csc(n1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O2S/c28-23(20-16-30-22(26-20)17-10-13-25-14-11-17)27-15-12-24(29,18-6-2-1-3-7-18)19-8-4-5-9-21(19)27/h1-3,6-7,10-11,13-14,16,19,21,29H,4-5,8-9,12,15H2/t19-,21+,24?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50341920 (((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...) Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1csc(n1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O2S/c28-23(20-16-30-22(26-20)17-10-13-25-14-11-17)27-15-12-24(29,18-6-2-1-3-7-18)19-8-4-5-9-21(19)27/h1-3,6-7,10-11,13-14,16,19,21,29H,4-5,8-9,12,15H2/t19-,21+,24?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50341920 (((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...) Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1csc(n1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O2S/c28-23(20-16-30-22(26-20)17-10-13-25-14-11-17)27-15-12-24(29,18-6-2-1-3-7-18)19-8-4-5-9-21(19)27/h1-3,6-7,10-11,13-14,16,19,21,29H,4-5,8-9,12,15H2/t19-,21+,24?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50341920 (((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...) Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1csc(n1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O2S/c28-23(20-16-30-22(26-20)17-10-13-25-14-11-17)27-15-12-24(29,18-6-2-1-3-7-18)19-8-4-5-9-21(19)27/h1-3,6-7,10-11,13-14,16,19,21,29H,4-5,8-9,12,15H2/t19-,21+,24?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50341920 (((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...) Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1csc(n1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O2S/c28-23(20-16-30-22(26-20)17-10-13-25-14-11-17)27-15-12-24(29,18-6-2-1-3-7-18)19-8-4-5-9-21(19)27/h1-3,6-7,10-11,13-14,16,19,21,29H,4-5,8-9,12,15H2/t19-,21+,24?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341920 (((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...) Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1csc(n1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O2S/c28-23(20-16-30-22(26-20)17-10-13-25-14-11-17)27-15-12-24(29,18-6-2-1-3-7-18)19-8-4-5-9-21(19)27/h1-3,6-7,10-11,13-14,16,19,21,29H,4-5,8-9,12,15H2/t19-,21+,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341920 (((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...) Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1csc(n1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O2S/c28-23(20-16-30-22(26-20)17-10-13-25-14-11-17)27-15-12-24(29,18-6-2-1-3-7-18)19-8-4-5-9-21(19)27/h1-3,6-7,10-11,13-14,16,19,21,29H,4-5,8-9,12,15H2/t19-,21+,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341920 (((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...) Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1csc(n1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O2S/c28-23(20-16-30-22(26-20)17-10-13-25-14-11-17)27-15-12-24(29,18-6-2-1-3-7-18)19-8-4-5-9-21(19)27/h1-3,6-7,10-11,13-14,16,19,21,29H,4-5,8-9,12,15H2/t19-,21+,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341920 (((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...) Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1csc(n1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O2S/c28-23(20-16-30-22(26-20)17-10-13-25-14-11-17)27-15-12-24(29,18-6-2-1-3-7-18)19-8-4-5-9-21(19)27/h1-3,6-7,10-11,13-14,16,19,21,29H,4-5,8-9,12,15H2/t19-,21+,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	388	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341920 (((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...) Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1csc(n1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O2S/c28-23(20-16-30-22(26-20)17-10-13-25-14-11-17)27-15-12-24(29,18-6-2-1-3-7-18)19-8-4-5-9-21(19)27/h1-3,6-7,10-11,13-14,16,19,21,29H,4-5,8-9,12,15H2/t19-,21+,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50341920 (((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...) Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1csc(n1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O2S/c28-23(20-16-30-22(26-20)17-10-13-25-14-11-17)27-15-12-24(29,18-6-2-1-3-7-18)19-8-4-5-9-21(19)27/h1-3,6-7,10-11,13-14,16,19,21,29H,4-5,8-9,12,15H2/t19-,21+,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	597	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50341920 (((4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2...) Show SMILES OC1(CCN([C@H]2CCCC[C@@H]12)C(=O)c1csc(n1)-c1ccncc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25N3O2S/c28-23(20-16-30-22(26-20)17-10-13-25-14-11-17)27-15-12-24(29,18-6-2-1-3-7-18)19-8-4-5-9-21(19)27/h1-3,6-7,10-11,13-14,16,19,21,29H,4-5,8-9,12,15H2/t19-,21+,24?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP production treated 15 mins before fo...				Bioorg Med Chem Lett 21: 2359-64 (2011) Article DOI: 10.1016/j.bmcl.2011.02.078 BindingDB Entry DOI: 10.7270/Q2M90901
					More data for this Ligand-Target Pair