Compile Data Set for Download or QSAR

Found 2611 hits with Last Name = 'alam' and Initial = 'ms'   

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 (MOUSE)	BDBM50463772 (CHEMBL4239190) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N/OCCCC#N |r,c:4| Show InChI InChI=1S/C22H28N2O3/c1-14-7-8-18-17(11-14)21-19(25)12-16(13-20(21)27-22(18,3)4)15(2)24-26-10-6-5-9-23/h7,12-13,17-18,25H,5-6,8,10-11H2,1-4H3/b24-15-/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant mouse Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50070606 (CHEMBL3408993) Show SMILES [O-][Cl](=O)(=O)=O.NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2ccccc2)s1 Show InChI InChI=1S/C13H12N5O4S3.ClHO4/c14-24(19,20)13-16-15-12(23-13)17-25(21,22)11-6-4-10(5-7-11)18-8-2-1-3-9-18;2-1(3,4)5/h1-9H,(H,15,17)(H2,14,19,20);(H,2,3,4,5)/q+1;/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Eur J Med Chem 92: 156-77 (2015) Article DOI: 10.1016/j.ejmech.2014.12.035 BindingDB Entry DOI: 10.7270/Q23B61TF
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50463775 (CHEMBL4240671) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCC(F)(F)F |r,c:4| Show InChI InChI=1S/C22H28F3NO3/c1-13-6-7-17-16(10-13)20-18(27)11-15(12-19(20)29-21(17,3)4)14(2)26-28-9-5-8-22(23,24)25/h6,11-12,16-17,27H,5,7-10H2,1-4H3/b26-14+/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from rat brain Cb1 receptor				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50463772 (CHEMBL4239190) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N/OCCCC#N |r,c:4| Show InChI InChI=1S/C22H28N2O3/c1-14-7-8-18-17(11-14)21-19(25)12-16(13-20(21)27-22(18,3)4)15(2)24-26-10-6-5-9-23/h7,12-13,17-18,25H,5-6,8,10-11H2,1-4H3/b24-15-/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from rat brain Cb1 receptor				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50463772 (CHEMBL4239190) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N/OCCCC#N |r,c:4| Show InChI InChI=1S/C22H28N2O3/c1-14-7-8-18-17(11-14)21-19(25)12-16(13-20(21)27-22(18,3)4)15(2)24-26-10-6-5-9-23/h7,12-13,17-18,25H,5-6,8,10-11H2,1-4H3/b24-15-/t17-,18-/m0/s1	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
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50463785 (CHEMBL4238778) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N/OC(C)CCC |r,c:4| Show InChI InChI=1S/C23H33NO3/c1-7-8-15(3)27-24-16(4)17-12-20(25)22-18-11-14(2)9-10-19(18)23(5,6)26-21(22)13-17/h9,12-13,15,18-19,25H,7-8,10-11H2,1-6H3/b24-16-/t15?,18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from rat brain Cb1 receptor				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50463775 (CHEMBL4240671) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCC(F)(F)F |r,c:4| Show InChI InChI=1S/C22H28F3NO3/c1-13-6-7-17-16(10-13)20-18(27)11-15(12-19(20)29-21(17,3)4)14(2)26-28-9-5-8-22(23,24)25/h6,11-12,16-17,27H,5,7-10H2,1-4H3/b26-14+/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant mouse Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-3 (Homo sapiens (Human))	BDBM50214664 (5-chloromethyl-1-(2,6-dichloro-4-trifluoromethylph...) Show SMILES CCCc1nnn(c1CCl)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(32.44,-26.02,;31.19,-25.11,;31.36,-23.58,;30.11,-22.67,;30.12,-21.13,;28.65,-20.65,;27.75,-21.9,;28.65,-23.14,;28.17,-24.61,;29.2,-25.75,;26.21,-21.89,;25.45,-23.23,;26.22,-24.56,;23.91,-23.23,;23.14,-21.89,;23.91,-20.56,;25.45,-20.56,;26.22,-19.23,;21.6,-21.89,;20.04,-21.96,;21.56,-20.35,;21.65,-23.43,)| Show InChI InChI=1S/C13H11Cl3F3N3/c1-2-3-10-11(6-14)22(21-20-10)12-8(15)4-7(5-9(12)16)13(17,18)19/h4-5H,2-3,6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.659	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shimane University Curated by ChEMBL					Assay Description Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells				Bioorg Med Chem 15: 5090-104 (2007) Article DOI: 10.1016/j.bmc.2007.05.039 BindingDB Entry DOI: 10.7270/Q2K64HS0
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50463776 (CHEMBL4246445) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCN1CCOCC1 |r,c:4| Show InChI InChI=1S/C24H34N2O4/c1-16-5-6-20-19(13-16)23-21(27)14-18(15-22(23)30-24(20,3)4)17(2)25-29-12-9-26-7-10-28-11-8-26/h5,14-15,19-20,27H,6-13H2,1-4H3/b25-17+/t19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50287936 ((6aS,10aS)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...) Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@H]3CC(C)=CC[C@@H]3C(C)(C)Oc2c1 |c:17| Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11,15-16,19-20,26H,7-10,12-14H2,1-6H3/t19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from rat brain Cb1 receptor				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50463786 (CHEMBL4249273) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCC#N |r,c:4| Show InChI InChI=1S/C22H28N2O3/c1-14-7-8-18-17(11-14)21-19(25)12-16(13-20(21)27-22(18,3)4)15(2)24-26-10-6-5-9-23/h7,12-13,17-18,25H,5-6,8,10-11H2,1-4H3/b24-15+/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from rat brain Cb1 receptor				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50463777 (CHEMBL4238224) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCn1ccnc1 |r,c:4| Show InChI InChI=1S/C24H31N3O3/c1-16-6-7-20-19(12-16)23-21(28)13-18(14-22(23)30-24(20,3)4)17(2)26-29-11-5-9-27-10-8-25-15-27/h6,8,10,13-15,19-20,28H,5,7,9,11-12H2,1-4H3/b26-17+/t19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from rat brain Cb1 receptor				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50463786 (CHEMBL4249273) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCC#N |r,c:4| Show InChI InChI=1S/C22H28N2O3/c1-14-7-8-18-17(11-14)21-19(25)12-16(13-20(21)27-22(18,3)4)15(2)24-26-10-6-5-9-23/h7,12-13,17-18,25H,5-6,8,10-11H2,1-4H3/b24-15+/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50463777 (CHEMBL4238224) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCn1ccnc1 |r,c:4| Show InChI InChI=1S/C24H31N3O3/c1-16-6-7-20-19(12-16)23-21(28)13-18(14-22(23)30-24(20,3)4)17(2)26-29-11-5-9-27-10-8-25-15-27/h6,8,10,13-15,19-20,28H,5,7,9,11-12H2,1-4H3/b26-17+/t19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant mouse Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50463778 (CHEMBL4240996) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCC |r,c:4| Show InChI InChI=1S/C22H31NO3/c1-6-7-10-25-23-15(3)16-12-19(24)21-17-11-14(2)8-9-18(17)22(4,5)26-20(21)13-16/h8,12-13,17-18,24H,6-7,9-11H2,1-5H3/b23-15+/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant mouse Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50463776 (CHEMBL4246445) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCN1CCOCC1 |r,c:4| Show InChI InChI=1S/C24H34N2O4/c1-16-5-6-20-19(13-16)23-21(27)14-18(15-22(23)30-24(20,3)4)17(2)25-29-12-9-26-7-10-28-11-8-26/h5,14-15,19-20,27H,6-13H2,1-4H3/b25-17+/t19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant mouse Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-3 (Homo sapiens (Human))	BDBM50214659 (1-(2,6-dichloro-4-trifluoromethylphenyl)-5-methyl-...) Show SMILES CCCc1nnn(c1C)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(3.52,-8.6,;2.27,-7.69,;2.44,-6.16,;1.2,-5.26,;1.2,-3.72,;-.27,-3.23,;-1.17,-4.48,;-.27,-5.73,;-.75,-7.19,;-2.71,-4.48,;-3.47,-5.81,;-2.69,-7.14,;-5,-5.82,;-5.78,-4.48,;-5.01,-3.14,;-3.47,-3.14,;-2.7,-1.81,;-7.32,-4.48,;-8.87,-4.54,;-7.36,-2.94,;-7.27,-6.02,)| Show InChI InChI=1S/C13H12Cl2F3N3/c1-3-4-11-7(2)21(20-19-11)12-9(14)5-8(6-10(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shimane University Curated by ChEMBL					Assay Description Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells				Bioorg Med Chem 15: 5090-104 (2007) Article DOI: 10.1016/j.bmc.2007.05.039 BindingDB Entry DOI: 10.7270/Q2K64HS0
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50463785 (CHEMBL4238778) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N/OC(C)CCC |r,c:4| Show InChI InChI=1S/C23H33NO3/c1-7-8-15(3)27-24-16(4)17-12-20(25)22-18-11-14(2)9-10-19(18)23(5,6)26-21(22)13-17/h9,12-13,15,18-19,25H,7-8,10-11H2,1-6H3/b24-16-/t15?,18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant mouse Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2/3/4/6 (Bos taurus-Bos taurus (Cattle)-Bos taurus (bovine))	BDBM50070606 (CHEMBL3408993) Show SMILES [O-][Cl](=O)(=O)=O.NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2ccccc2)s1 Show InChI InChI=1S/C13H12N5O4S3.ClHO4/c14-24(19,20)13-16-15-12(23-13)17-25(21,22)11-6-4-10(5-7-11)18-8-2-1-3-9-18;2-1(3,4)5/h1-9H,(H,15,17)(H2,14,19,20);(H,2,3,4,5)/q+1;/p-1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of bovine carbonic anhydrase 5				Eur J Med Chem 92: 156-77 (2015) Article DOI: 10.1016/j.ejmech.2014.12.035 BindingDB Entry DOI: 10.7270/Q23B61TF
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50463783 (CHEMBL4244186) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OC(C)CCC |r,c:4| Show InChI InChI=1S/C23H33NO3/c1-7-8-15(3)27-24-16(4)17-12-20(25)22-18-11-14(2)9-10-19(18)23(5,6)26-21(22)13-17/h9,12-13,15,18-19,25H,7-8,10-11H2,1-6H3/b24-16+/t15?,18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from rat brain Cb1 receptor				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-3 (Homo sapiens (Human))	BDBM50214673 (1-(2,6-dichloro-4-trifluoromethylphenyl)-5-hydroxy...) Show SMILES CCCc1nnn(c1CO)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(3.18,-26.58,;1.93,-25.67,;2.1,-24.14,;.85,-23.23,;.86,-21.69,;-.61,-21.21,;-1.51,-22.46,;-.61,-23.7,;-1.09,-25.17,;-.06,-26.31,;-3.05,-22.45,;-3.81,-23.79,;-3.04,-25.12,;-5.35,-23.79,;-6.12,-22.45,;-5.35,-21.12,;-3.81,-21.12,;-3.04,-19.79,;-7.66,-22.45,;-9.22,-22.52,;-7.7,-20.91,;-7.61,-23.99,)| Show InChI InChI=1S/C13H12Cl2F3N3O/c1-2-3-10-11(6-22)21(20-19-10)12-8(14)4-7(5-9(12)15)13(16,17)18/h4-5,22H,2-3,6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shimane University Curated by ChEMBL					Assay Description Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells				Bioorg Med Chem 15: 5090-104 (2007) Article DOI: 10.1016/j.bmc.2007.05.039 BindingDB Entry DOI: 10.7270/Q2K64HS0
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50463774 (CHEMBL4243768) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCN1CCCCC1 |r,c:4| Show InChI InChI=1S/C25H36N2O3/c1-17-8-9-21-20(14-17)24-22(28)15-19(16-23(24)30-25(21,3)4)18(2)26-29-13-12-27-10-6-5-7-11-27/h8,15-16,20-21,28H,5-7,9-14H2,1-4H3/b26-18+/t20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50463782 (CHEMBL4242964) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCCF |r,c:4| Show InChI InChI=1S/C22H30FNO3/c1-14-7-8-18-17(11-14)21-19(25)12-16(13-20(21)27-22(18,3)4)15(2)24-26-10-6-5-9-23/h7,12-13,17-18,25H,5-6,8-11H2,1-4H3/b24-15+/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant mouse Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50463786 (CHEMBL4249273) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCC#N |r,c:4| Show InChI InChI=1S/C22H28N2O3/c1-14-7-8-18-17(11-14)21-19(25)12-16(13-20(21)27-22(18,3)4)15(2)24-26-10-6-5-9-23/h7,12-13,17-18,25H,5-6,8,10-11H2,1-4H3/b24-15+/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant mouse Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50463773 (CHEMBL4237501) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCc1ccccc1 |r,c:4| Show InChI InChI=1S/C27H33NO3/c1-18-12-13-23-22(15-18)26-24(29)16-21(17-25(26)31-27(23,3)4)19(2)28-30-14-8-11-20-9-6-5-7-10-20/h5-7,9-10,12,16-17,22-23,29H,8,11,13-15H2,1-4H3/b28-19+/t22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50463779 (CHEMBL4245472) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N/OCCCc1ccccc1 |r,c:4| Show InChI InChI=1S/C27H33NO3/c1-18-12-13-23-22(15-18)26-24(29)16-21(17-25(26)31-27(23,3)4)19(2)28-30-14-8-11-20-9-6-5-7-10-20/h5-7,9-10,12,16-17,22-23,29H,8,11,13-15H2,1-4H3/b28-19-/t22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant mouse Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50463779 (CHEMBL4245472) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N/OCCCc1ccccc1 |r,c:4| Show InChI InChI=1S/C27H33NO3/c1-18-12-13-23-22(15-18)26-24(29)16-21(17-25(26)31-27(23,3)4)19(2)28-30-14-8-11-20-9-6-5-7-10-20/h5-7,9-10,12,16-17,22-23,29H,8,11,13-15H2,1-4H3/b28-19-/t22-,23-/m0/s1	PDB 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
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50463773 (CHEMBL4237501) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCc1ccccc1 |r,c:4| Show InChI InChI=1S/C27H33NO3/c1-18-12-13-23-22(15-18)26-24(29)16-21(17-25(26)31-27(23,3)4)19(2)28-30-14-8-11-20-9-6-5-7-10-20/h5-7,9-10,12,16-17,22-23,29H,8,11,13-15H2,1-4H3/b28-19+/t22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from rat brain Cb1 receptor				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50463775 (CHEMBL4240671) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCC(F)(F)F |r,c:4| Show InChI InChI=1S/C22H28F3NO3/c1-13-6-7-17-16(10-13)20-18(27)11-15(12-19(20)29-21(17,3)4)14(2)26-28-9-5-8-22(23,24)25/h6,11-12,16-17,27H,5,7-10H2,1-4H3/b26-14+/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50070606 (CHEMBL3408993) Show SMILES [O-][Cl](=O)(=O)=O.NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2ccccc2)s1 Show InChI InChI=1S/C13H12N5O4S3.ClHO4/c14-24(19,20)13-16-15-12(23-13)17-25(21,22)11-6-4-10(5-7-11)18-8-2-1-3-9-18;2-1(3,4)5/h1-9H,(H,15,17)(H2,14,19,20);(H,2,3,4,5)/q+1;/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1				Eur J Med Chem 92: 156-77 (2015) Article DOI: 10.1016/j.ejmech.2014.12.035 BindingDB Entry DOI: 10.7270/Q23B61TF
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50287936 ((6aS,10aS)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...) Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@H]3CC(C)=CC[C@@H]3C(C)(C)Oc2c1 |c:17| Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11,15-16,19-20,26H,7-10,12-14H2,1-6H3/t19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant mouse Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50463778 (CHEMBL4240996) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCC |r,c:4| Show InChI InChI=1S/C22H31NO3/c1-6-7-10-25-23-15(3)16-12-19(24)21-17-11-14(2)8-9-18(17)22(4,5)26-20(21)13-16/h8,12-13,17-18,24H,6-7,9-11H2,1-5H3/b23-15+/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from rat brain Cb1 receptor				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50463777 (CHEMBL4238224) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCn1ccnc1 |r,c:4| Show InChI InChI=1S/C24H31N3O3/c1-16-6-7-20-19(12-16)23-21(28)13-18(14-22(23)30-24(20,3)4)17(2)26-29-11-5-9-27-10-8-25-15-27/h6,8,10,13-15,19-20,28H,5,7,9,11-12H2,1-4H3/b26-17+/t19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50463780 (CHEMBL4249729) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCOc1ccccc1 |r,c:4| Show InChI InChI=1S/C26H31NO4/c1-17-10-11-22-21(14-17)25-23(28)15-19(16-24(25)31-26(22,3)4)18(2)27-30-13-12-29-20-8-6-5-7-9-20/h5-10,15-16,21-22,28H,11-14H2,1-4H3/b27-18+/t21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant mouse Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50463773 (CHEMBL4237501) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCc1ccccc1 |r,c:4| Show InChI InChI=1S/C27H33NO3/c1-18-12-13-23-22(15-18)26-24(29)16-21(17-25(26)31-27(23,3)4)19(2)28-30-14-8-11-20-9-6-5-7-10-20/h5-7,9-10,12,16-17,22-23,29H,8,11,13-15H2,1-4H3/b28-19+/t22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant mouse Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50463782 (CHEMBL4242964) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCCF |r,c:4| Show InChI InChI=1S/C22H30FNO3/c1-14-7-8-18-17(11-14)21-19(25)12-16(13-20(21)27-22(18,3)4)15(2)24-26-10-6-5-9-23/h7,12-13,17-18,25H,5-6,8-11H2,1-4H3/b24-15+/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from rat brain Cb1 receptor				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50463774 (CHEMBL4243768) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCN1CCCCC1 |r,c:4| Show InChI InChI=1S/C25H36N2O3/c1-17-8-9-21-20(14-17)24-22(28)15-19(16-23(24)30-25(21,3)4)18(2)26-29-13-12-27-10-6-5-7-11-27/h8,15-16,20-21,28H,5-7,9-14H2,1-4H3/b26-18+/t20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant mouse Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-3 (Homo sapiens (Human))	BDBM50214650 (1-(2,6-dichloro-4-trifluoromethylphenyl)-4,5-dieth...) Show SMILES CCc1nnn(c1CC)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(31.28,.4,;31.44,1.93,;30.2,2.84,;30.21,4.38,;28.74,4.86,;27.84,3.62,;28.73,2.37,;28.25,.9,;29.28,-.24,;26.3,3.62,;25.53,2.29,;26.31,.95,;24,2.28,;23.22,3.62,;23.99,4.95,;25.53,4.95,;26.31,6.28,;21.68,3.62,;20.13,3.55,;21.65,5.16,;21.73,2.08,)| Show InChI InChI=1S/C13H12Cl2F3N3/c1-3-10-11(4-2)21(20-19-10)12-8(14)5-7(6-9(12)15)13(16,17)18/h5-6H,3-4H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shimane University Curated by ChEMBL					Assay Description Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells				Bioorg Med Chem 15: 5090-104 (2007) Article DOI: 10.1016/j.bmc.2007.05.039 BindingDB Entry DOI: 10.7270/Q2K64HS0
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50463779 (CHEMBL4245472) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N/OCCCc1ccccc1 |r,c:4| Show InChI InChI=1S/C27H33NO3/c1-18-12-13-23-22(15-18)26-24(29)16-21(17-25(26)31-27(23,3)4)19(2)28-30-14-8-11-20-9-6-5-7-10-20/h5-7,9-10,12,16-17,22-23,29H,8,11,13-15H2,1-4H3/b28-19-/t22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from rat brain Cb1 receptor				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50463774 (CHEMBL4243768) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCN1CCCCC1 |r,c:4| Show InChI InChI=1S/C25H36N2O3/c1-17-8-9-21-20(14-17)24-22(28)15-19(16-23(24)30-25(21,3)4)18(2)26-29-13-12-27-10-6-5-7-11-27/h8,15-16,20-21,28H,5-7,9-14H2,1-4H3/b26-18+/t20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from rat brain Cb1 receptor				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50070606 (CHEMBL3408993) Show SMILES [O-][Cl](=O)(=O)=O.NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2ccccc2)s1 Show InChI InChI=1S/C13H12N5O4S3.ClHO4/c14-24(19,20)13-16-15-12(23-13)17-25(21,22)11-6-4-10(5-7-11)18-8-2-1-3-9-18;2-1(3,4)5/h1-9H,(H,15,17)(H2,14,19,20);(H,2,3,4,5)/q+1;/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9				Eur J Med Chem 92: 156-77 (2015) Article DOI: 10.1016/j.ejmech.2014.12.035 BindingDB Entry DOI: 10.7270/Q23B61TF
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50463785 (CHEMBL4238778) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N/OC(C)CCC |r,c:4| Show InChI InChI=1S/C23H33NO3/c1-7-8-15(3)27-24-16(4)17-12-20(25)22-18-11-14(2)9-10-19(18)23(5,6)26-21(22)13-17/h9,12-13,15,18-19,25H,7-8,10-11H2,1-6H3/b24-16-/t15?,18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50463780 (CHEMBL4249729) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCOc1ccccc1 |r,c:4| Show InChI InChI=1S/C26H31NO4/c1-17-10-11-22-21(14-17)25-23(28)15-19(16-24(25)31-26(22,3)4)18(2)27-30-13-12-29-20-8-6-5-7-9-20/h5-10,15-16,21-22,28H,11-14H2,1-4H3/b27-18+/t21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50463781 (CHEMBL4239541) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCN1CCCC1 |r,c:4| Show InChI InChI=1S/C24H34N2O3/c1-16-7-8-20-19(13-16)23-21(27)14-18(15-22(23)29-24(20,3)4)17(2)25-28-12-11-26-9-5-6-10-26/h7,14-15,19-20,27H,5-6,8-13H2,1-4H3/b25-17+/t19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from rat brain Cb1 receptor				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50463781 (CHEMBL4239541) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCN1CCCC1 |r,c:4| Show InChI InChI=1S/C24H34N2O3/c1-16-7-8-20-19(13-16)23-21(27)14-18(15-22(23)29-24(20,3)4)17(2)25-28-12-11-26-9-5-6-10-26/h7,14-15,19-20,27H,5-6,8-13H2,1-4H3/b25-17+/t19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant mouse Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50463776 (CHEMBL4246445) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCN1CCOCC1 |r,c:4| Show InChI InChI=1S/C24H34N2O4/c1-16-5-6-20-19(13-16)23-21(27)14-18(15-22(23)30-24(20,3)4)17(2)25-29-12-9-26-7-10-28-11-8-26/h5,14-15,19-20,27H,6-13H2,1-4H3/b25-17+/t19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from rat brain Cb1 receptor				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-3 (Homo sapiens (Human))	BDBM50214662 (1-(2,6-dichloro-4-trifluoromethylphenyl)-4-ethyl-5...) Show SMILES CCc1nnn(c1C)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(2.91,.76,;3.08,2.29,;1.83,3.2,;1.84,4.74,;.37,5.22,;-.53,3.97,;.37,2.73,;-.11,1.26,;-2.07,3.98,;-2.83,2.64,;-2.06,1.31,;-4.37,2.64,;-5.14,3.98,;-4.37,5.31,;-2.83,5.31,;-2.06,6.64,;-6.68,3.98,;-8.24,3.91,;-6.72,5.52,;-6.63,2.44,)| Show InChI InChI=1S/C12H10Cl2F3N3/c1-3-10-6(2)20(19-18-10)11-8(13)4-7(5-9(11)14)12(15,16)17/h4-5H,3H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shimane University Curated by ChEMBL					Assay Description Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells				Bioorg Med Chem 15: 5090-104 (2007) Article DOI: 10.1016/j.bmc.2007.05.039 BindingDB Entry DOI: 10.7270/Q2K64HS0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit beta-3 (Homo sapiens (Human))	BDBM50214670 (1-(2,6-dichloro-4-trifluoromethylphenyl)-5-ethyl-4...) Show SMILES CCCc1nnn(c1CC)-c1c(Cl)cc(cc1Cl)C(F)(F)F |(3.56,-17.92,;2.31,-17.01,;2.48,-15.48,;1.23,-14.57,;1.24,-13.03,;-.23,-12.55,;-1.13,-13.8,;-.23,-15.05,;-.71,-16.51,;.32,-17.66,;-2.67,-13.8,;-3.43,-15.13,;-2.66,-16.46,;-4.97,-15.13,;-5.74,-13.79,;-4.97,-12.46,;-3.43,-12.46,;-2.66,-11.13,;-7.28,-13.79,;-8.84,-13.86,;-7.32,-12.25,;-7.23,-15.33,)| Show InChI InChI=1S/C14H14Cl2F3N3/c1-3-5-11-12(4-2)22(21-20-11)13-9(15)6-8(7-10(13)16)14(17,18)19/h6-7H,3-5H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shimane University Curated by ChEMBL					Assay Description Displacement of [3H]EBOB from human recombinant GABAbeta3 receptor expressed in HEK293 cells				Bioorg Med Chem 15: 5090-104 (2007) Article DOI: 10.1016/j.bmc.2007.05.039 BindingDB Entry DOI: 10.7270/Q2K64HS0
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50463781 (CHEMBL4239541) Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCN1CCCC1 |r,c:4| Show InChI InChI=1S/C24H34N2O3/c1-16-7-8-20-19(13-16)23-21(27)14-18(15-22(23)29-24(20,3)4)17(2)25-28-12-11-26-9-5-6-10-26/h7,14-15,19-20,27H,5-6,8-13H2,1-4H3/b25-17+/t19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50287936 ((6aS,10aS)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...) Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@H]3CC(C)=CC[C@@H]3C(C)(C)Oc2c1 |c:17| Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11,15-16,19-20,26H,7-10,12-14H2,1-6H3/t19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human Cb2 receptor expressed in HEK293 cells				Bioorg Med Chem 26: 4963-4970 (2018) Article DOI: 10.1016/j.bmc.2018.08.003 BindingDB Entry DOI: 10.7270/Q2BG2RNX
					More data for this Ligand-Target Pair

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