Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'ferrandis' and Initial = 'e'   

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))	BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cc(ccc2I)[N+]([O-])=O)c2ccccc12 Show InChI InChI=1S/C22H22IN3O3/c1-24-11-5-4-6-16(24)13-25-14-19(17-7-2-3-8-21(17)25)22(27)18-12-15(26(28)29)9-10-20(18)23/h2-3,7-10,12,14,16H,4-6,11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cell membrane by competitive displacement assay				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50089965 (CHEMBL3581222) Show SMILES CN(C)C1(CCOCC1)c1nc(cs1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C24H36N2O2S/c1-22(2,3)17-13-16(14-18(20(17)27)23(4,5)6)19-15-29-21(25-19)24(26(7)8)9-11-28-12-10-24/h13-15,27H,9-12H2,1-8H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cell membrane by competitive displacement assay				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50089958 (CHEMBL3581226) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1csc(n1)C1(CCOCC1)N1CCCCC1 Show InChI InChI=1S/C27H40N2O2S/c1-25(2,3)20-16-19(17-21(23(20)30)26(4,5)6)22-18-32-24(28-22)27(10-14-31-15-11-27)29-12-8-7-9-13-29/h16-18,30H,7-15H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cell membrane by competitive displacement assay				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50089956 (CHEMBL3581228) Show SMILES CN(C)C1(CCOCC1)c1nc(co1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C24H36N2O3/c1-22(2,3)17-13-16(14-18(20(17)27)23(4,5)6)19-15-29-21(25-19)24(26(7)8)9-11-28-12-10-24/h13-15,27H,9-12H2,1-8H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cell membrane by competitive displacement assay				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50089959 (CHEMBL3581225) Show SMILES CCN(CC)C1(CCOCC1)c1nc(cs1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C26H40N2O2S/c1-9-28(10-2)26(11-13-30-14-12-26)23-27-21(17-31-23)18-15-19(24(3,4)5)22(29)20(16-18)25(6,7)8/h15-17,29H,9-14H2,1-8H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cell membrane by competitive displacement assay				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50089968 (CHEMBL3581220) Show SMILES CN(C)C1(CCSCC1)c1nc(cs1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C24H36N2OS2/c1-22(2,3)17-13-16(14-18(20(17)27)23(4,5)6)19-15-29-21(25-19)24(26(7)8)9-11-28-12-10-24/h13-15,27H,9-12H2,1-8H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cell membrane by competitive displacement assay				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50089970 (CHEMBL3581229) Show SMILES CN(C)C1(CCOCC1)c1nc(cs1)-c1cc(cc(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C24H36N2OS/c1-22(2,3)18-13-17(14-19(15-18)23(4,5)6)20-16-28-21(25-20)24(26(7)8)9-11-27-12-10-24/h13-16H,9-12H2,1-8H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cell membrane by competitive displacement assay				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50089963 (CHEMBL3581224) Show SMILES CNC1(CCOCC1)c1nc(cs1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C23H34N2O2S/c1-21(2,3)16-12-15(13-17(19(16)26)22(4,5)6)18-14-28-20(25-18)23(24-7)8-10-27-11-9-23/h12-14,24,26H,8-11H2,1-7H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	144	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cell membrane by competitive displacement assay				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50089957 (CHEMBL3581227) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1csc(n1)C1(CCOCC1)N1CCOCC1 Show InChI InChI=1S/C26H38N2O3S/c1-24(2,3)19-15-18(16-20(22(19)29)25(4,5)6)21-17-32-23(27-21)26(7-11-30-12-8-26)28-9-13-31-14-10-28/h15-17,29H,7-14H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	177	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cell membrane by competitive displacement assay				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50089956 (CHEMBL3581228) Show SMILES CN(C)C1(CCOCC1)c1nc(co1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C24H36N2O3/c1-22(2,3)17-13-16(14-18(20(17)27)23(4,5)6)19-15-29-21(25-19)24(26(7)8)9-11-28-12-10-24/h13-15,27H,9-12H2,1-8H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	817	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cell membrane by competitive displacement assay				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50089965 (CHEMBL3581222) Show SMILES CN(C)C1(CCOCC1)c1nc(cs1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C24H36N2O2S/c1-22(2,3)17-13-16(14-18(20(17)27)23(4,5)6)19-15-29-21(25-19)24(26(7)8)9-11-28-12-10-24/h13-15,27H,9-12H2,1-8H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	857	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cell membrane by competitive displacement assay				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cc(ccc2I)[N+]([O-])=O)c2ccccc12 Show InChI InChI=1S/C22H22IN3O3/c1-24-11-5-4-6-16(24)13-25-14-19(17-7-2-3-8-21(17)25)22(27)18-12-15(26(28)29)9-10-20(18)23/h2-3,7-10,12,14,16H,4-6,11,13H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cell membrane by competitive displacement assay				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50089958 (CHEMBL3581226) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1csc(n1)C1(CCOCC1)N1CCCCC1 Show InChI InChI=1S/C27H40N2O2S/c1-25(2,3)20-16-19(17-21(23(20)30)26(4,5)6)22-18-32-24(28-22)27(10-14-31-15-11-27)29-12-8-7-9-13-29/h16-18,30H,7-15H2,1-6H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents	Article PubMed	2.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cell membrane by competitive displacement assay				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50089963 (CHEMBL3581224) Show SMILES CNC1(CCOCC1)c1nc(cs1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C23H34N2O2S/c1-21(2,3)16-12-15(13-17(19(16)26)22(4,5)6)18-14-28-20(25-18)23(24-7)8-10-27-11-9-23/h12-14,24,26H,8-11H2,1-7H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cell membrane by competitive displacement assay				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50089968 (CHEMBL3581220) Show SMILES CN(C)C1(CCSCC1)c1nc(cs1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C24H36N2OS2/c1-22(2,3)17-13-16(14-18(20(17)27)23(4,5)6)19-15-29-21(25-19)24(26(7)8)9-11-28-12-10-24/h13-15,27H,9-12H2,1-8H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cell membrane by competitive displacement assay				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50089964 (CHEMBL3581223) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1csc(n1)C1(N)CCOCC1 Show InChI InChI=1S/C22H32N2O2S/c1-20(2,3)15-11-14(12-16(18(15)25)21(4,5)6)17-13-27-19(24-17)22(23)7-9-26-10-8-22/h11-13,25H,7-10,23H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cell membrane by competitive displacement assay				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50089959 (CHEMBL3581225) Show SMILES CCN(CC)C1(CCOCC1)c1nc(cs1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C26H40N2O2S/c1-9-28(10-2)26(11-13-30-14-12-26)23-27-21(17-31-23)18-15-19(24(3,4)5)22(29)20(16-18)25(6,7)8/h15-17,29H,9-14H2,1-8H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cell membrane by competitive displacement assay				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50089970 (CHEMBL3581229) Show SMILES CN(C)C1(CCOCC1)c1nc(cs1)-c1cc(cc(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C24H36N2OS/c1-22(2,3)18-13-17(14-19(15-18)23(4,5)6)20-16-28-21(25-20)24(26(7)8)9-11-27-12-10-24/h13-16H,9-12H2,1-8H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cell membrane by competitive displacement assay				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50089966 (CHEMBL3581221) Show SMILES CN(C)Cc1nc(cs1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C20H30N2OS/c1-19(2,3)14-9-13(10-15(18(14)23)20(4,5)6)16-12-24-17(21-16)11-22(7)8/h9-10,12,23H,11H2,1-8H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cell membrane by competitive displacement assay				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50089964 (CHEMBL3581223) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1csc(n1)C1(N)CCOCC1 Show InChI InChI=1S/C22H32N2O2S/c1-20(2,3)15-11-14(12-16(18(15)25)21(4,5)6)17-13-27-19(24-17)22(23)7-9-26-10-8-22/h11-13,25H,7-10,23H2,1-6H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cell membrane by competitive displacement assay				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50171448 ((9BETA,14BETA,17BETA)-17-HYDROXY-2-METHOXYESTRA-1,...) Show SMILES COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1OS(N)(=O)=O Show InChI InChI=1S/C19H27NO5S/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(25-26(20,22)23)16(24-2)10-14(11)12/h9-10,12-13,15,18,21H,3-8H2,1-2H3,(H2,20,22,23)/t12-,13+,15-,18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase-mediated coversion of [3H]E1S to E1				J Med Chem 51: 1295-308 (2008) Article DOI: 10.1021/jm701319c BindingDB Entry DOI: 10.7270/Q2M0468S
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50237104 (2-((8R,9S,13S,14S,16R)-2-ethyl-3-hydroxy-13-methyl...) Show SMILES CCc1cc2[C@H]3CC[C@@]4(C)[C@@H](C[C@H](CC(=O)NCc5cccnc5)C4=O)[C@@H]3CCc2cc1O |r| Show InChI InChI=1S/C28H34N2O3/c1-3-18-11-23-19(13-25(18)31)6-7-22-21(23)8-9-28(2)24(22)12-20(27(28)33)14-26(32)30-16-17-5-4-10-29-15-17/h4-5,10-11,13,15,20-22,24,31H,3,6-9,12,14,16H2,1-2H3,(H,30,32)/t20-,21+,22-,24+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins				Bioorg Med Chem 16: 4438-56 (2008) Article DOI: 10.1016/j.bmc.2008.02.059 BindingDB Entry DOI: 10.7270/Q20002Z0
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50200936 ((9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,...) Show SMILES COc1cc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2cc1OS(N)(=O)=O)OS(N)(=O)=O |r| Show InChI InChI=1S/C19H28N2O7S2/c1-19-8-7-12-13(15(19)5-6-18(19)28-30(21,24)25)4-3-11-9-17(27-29(20,22)23)16(26-2)10-14(11)12/h9-10,12-13,15,18H,3-8H2,1-2H3,(H2,20,22,23)(H2,21,24,25)/t12-,13+,15-,18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase-mediated coversion of [3H]E1S to E1				J Med Chem 51: 1295-308 (2008) Article DOI: 10.1021/jm701319c BindingDB Entry DOI: 10.7270/Q2M0468S
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50219531 (17beta-carbamoyloxy-3-sulfamoyloxyestra-1,3,5(10)-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CC[C@@H]2OC(N)=O Show InChI InChI=1S/C19H26N2O5S/c1-19-9-8-14-13-5-3-12(26-27(21,23)24)10-11(13)2-4-15(14)16(19)6-7-17(19)25-18(20)22/h3,5,10,14-17H,2,4,6-9H2,1H3,(H2,20,22)(H2,21,23,24)/t14-,15-,16+,17+,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in placental microsomes				J Med Chem 50: 4431-43 (2007) Article DOI: 10.1021/jm070405v BindingDB Entry DOI: 10.7270/Q2765F21
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50372895 (CHEMBL408967) Show SMILES COc1cc2[C@H]3CC[C@]4(C)[C@@H](CC#N)CC[C@H]4[C@@H]3CCc2cc1OS(N)(=O)=O |r| Show InChI InChI=1S/C21H28N2O4S/c1-21-9-7-15-16(18(21)6-4-14(21)8-10-22)5-3-13-11-20(27-28(23,24)25)19(26-2)12-17(13)15/h11-12,14-16,18H,3-9H2,1-2H3,(H2,23,24,25)/t14-,15+,16-,18+,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase-mediated coversion of [3H]E1S to E1				J Med Chem 51: 1295-308 (2008) Article DOI: 10.1021/jm701319c BindingDB Entry DOI: 10.7270/Q2M0468S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50171450 ((8R,9S,13S,14S)-2-Methoxy-13-methyl-17-oxo-7,8,9,1...) Show SMILES COc1cc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2cc1OS(N)(=O)=O Show InChI InChI=1S/C19H25NO5S/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(25-26(20,22)23)16(24-2)10-14(11)12/h9-10,12-13,15H,3-8H2,1-2H3,(H2,20,22,23)/t12-,13+,15-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	376	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				J Med Chem 51: 1295-308 (2008) Article DOI: 10.1021/jm701319c BindingDB Entry DOI: 10.7270/Q2M0468S
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50200936 ((9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,...) Show SMILES COc1cc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2cc1OS(N)(=O)=O)OS(N)(=O)=O |r| Show InChI InChI=1S/C19H28N2O7S2/c1-19-8-7-12-13(15(19)5-6-18(19)28-30(21,24)25)4-3-11-9-17(27-29(20,22)23)16(26-2)10-14(11)12/h9-10,12-13,15,18H,3-8H2,1-2H3,(H2,20,22,23)(H2,21,24,25)/t12-,13+,15-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	379	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				J Med Chem 51: 1295-308 (2008) Article DOI: 10.1021/jm701319c BindingDB Entry DOI: 10.7270/Q2M0468S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steryl-sulfatase (Homo sapiens (Human))	BDBM50219532 (17beta-Carbamoyloxy-2-methoxy-3-sulfamoyloxyestra-...) Show SMILES COc1cc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2cc1OS(N)(=O)=O)OC(N)=O Show InChI InChI=1S/C20H28N2O6S/c1-20-8-7-12-13(15(20)5-6-18(20)27-19(21)23)4-3-11-9-17(28-29(22,24)25)16(26-2)10-14(11)12/h9-10,12-13,15,18H,3-8H2,1-2H3,(H2,21,23)(H2,22,24,25)/t12-,13+,15-,18-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase in placental microsomes				J Med Chem 50: 4431-43 (2007) Article DOI: 10.1021/jm070405v BindingDB Entry DOI: 10.7270/Q2765F21
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50200940 ((13ALPHA,14BETA,17ALPHA)-3-HYDROXY-2-METHOXYESTRA-...) Show SMILES COc1cc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2cc1O)OS(N)(=O)=O |r| Show InChI InChI=1S/C19H27NO5S/c1-19-8-7-12-13(15(19)5-6-18(19)25-26(20,22)23)4-3-11-9-16(21)17(24-2)10-14(11)12/h9-10,12-13,15,18,21H,3-8H2,1-2H3,(H2,20,22,23)/t12-,13+,15-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	526	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				J Med Chem 51: 1295-308 (2008) Article DOI: 10.1021/jm701319c BindingDB Entry DOI: 10.7270/Q2M0468S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Steryl-sulfatase (Homo sapiens (Human))	BDBM50372894 (CHEMBL407952) Show SMILES CCc1cc2[C@H]3CC[C@]4(C)[C@@H](CC#N)CC[C@H]4[C@@H]3CCc2cc1OS(N)(=O)=O |r| Show InChI InChI=1S/C22H30N2O3S/c1-3-14-12-19-15(13-21(14)27-28(24,25)26)4-6-18-17(19)8-10-22(2)16(9-11-23)5-7-20(18)22/h12-13,16-18,20H,3-10H2,1-2H3,(H2,24,25,26)/t16-,17+,18-,20+,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of steroid sulfatase-mediated coversion of [3H]E1S to E1				J Med Chem 51: 1295-308 (2008) Article DOI: 10.1021/jm701319c BindingDB Entry DOI: 10.7270/Q2M0468S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50372895 (CHEMBL408967) Show SMILES COc1cc2[C@H]3CC[C@]4(C)[C@@H](CC#N)CC[C@H]4[C@@H]3CCc2cc1OS(N)(=O)=O |r| Show InChI InChI=1S/C21H28N2O4S/c1-21-9-7-15-16(18(21)6-4-14(21)8-10-22)5-3-13-11-20(27-28(23,24)25)19(26-2)12-17(13)15/h11-12,14-16,18H,3-9H2,1-2H3,(H2,23,24,25)/t14-,15+,16-,18+,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				J Med Chem 51: 1295-308 (2008) Article DOI: 10.1021/jm701319c BindingDB Entry DOI: 10.7270/Q2M0468S
					More data for this Ligand-Target Pair				3D Structure (crystal)
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50376293 (CHEMBL408487) Show SMILES Oc1ccc(cc1)-c1ccc2C(=O)CCc2c1 Show InChI InChI=1S/C15H12O2/c16-13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(14)17/h1-3,5-7,9,16H,4,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins				Bioorg Med Chem 16: 4438-56 (2008) Article DOI: 10.1016/j.bmc.2008.02.059 BindingDB Entry DOI: 10.7270/Q20002Z0
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50376289 (CHEMBL410224) Show SMILES CCc1cc(ccc1O)-c1ccc(cc1)C(=O)CC(C)(C)C(=O)NCc1cccnc1 Show InChI InChI=1S/C26H28N2O3/c1-4-19-14-22(11-12-23(19)29)20-7-9-21(10-8-20)24(30)15-26(2,3)25(31)28-17-18-6-5-13-27-16-18/h5-14,16,29H,4,15,17H2,1-3H3,(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins				Bioorg Med Chem 16: 4438-56 (2008) Article DOI: 10.1016/j.bmc.2008.02.059 BindingDB Entry DOI: 10.7270/Q20002Z0
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50376292 (CHEMBL259000) Show SMILES CCc1cc(ccc1O)-c1ccc2C(=O)CCc2c1 Show InChI InChI=1S/C17H16O2/c1-2-11-9-13(4-7-16(11)18)12-3-6-15-14(10-12)5-8-17(15)19/h3-4,6-7,9-10,18H,2,5,8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins				Bioorg Med Chem 16: 4438-56 (2008) Article DOI: 10.1016/j.bmc.2008.02.059 BindingDB Entry DOI: 10.7270/Q20002Z0
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50376298 (CHEMBL408485) Show SMILES Oc1ccc(cc1F)-c1ccc2C(=O)CCc2c1 Show InChI InChI=1S/C15H11FO2/c16-13-8-10(2-6-15(13)18)9-1-4-12-11(7-9)3-5-14(12)17/h1-2,4,6-8,18H,3,5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins				Bioorg Med Chem 16: 4438-56 (2008) Article DOI: 10.1016/j.bmc.2008.02.059 BindingDB Entry DOI: 10.7270/Q20002Z0
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50376297 (CHEMBL408594) Show SMILES CCc1cc(ccc1O)-c1ccc(cc1)C(=O)CCC(=O)NCc1cccnc1 Show InChI InChI=1S/C24H24N2O3/c1-2-18-14-21(9-10-22(18)27)19-5-7-20(8-6-19)23(28)11-12-24(29)26-16-17-4-3-13-25-15-17/h3-10,13-15,27H,2,11-12,16H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins				Bioorg Med Chem 16: 4438-56 (2008) Article DOI: 10.1016/j.bmc.2008.02.059 BindingDB Entry DOI: 10.7270/Q20002Z0
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50376295 (CHEMBL260518) Show SMILES CC(=O)c1ccc(cc1)-c1ccc(O)cc1C Show InChI InChI=1S/C15H14O2/c1-10-9-14(17)7-8-15(10)13-5-3-12(4-6-13)11(2)16/h3-9,17H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins				Bioorg Med Chem 16: 4438-56 (2008) Article DOI: 10.1016/j.bmc.2008.02.059 BindingDB Entry DOI: 10.7270/Q20002Z0
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50376287 (CHEMBL261578) Show SMILES CC(=O)c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C14H12O2/c1-10(15)11-2-4-12(5-3-11)13-6-8-14(16)9-7-13/h2-9,16H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins				Bioorg Med Chem 16: 4438-56 (2008) Article DOI: 10.1016/j.bmc.2008.02.059 BindingDB Entry DOI: 10.7270/Q20002Z0
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50376288 (CHEMBL260227) Show SMILES CCc1cc(ccc1O)-c1ccc2C(=O)C(CC(=O)NCc3cccnc3)Cc2c1 Show InChI InChI=1S/C25H24N2O3/c1-2-17-10-19(6-8-23(17)28)18-5-7-22-20(11-18)12-21(25(22)30)13-24(29)27-15-16-4-3-9-26-14-16/h3-11,14,21,28H,2,12-13,15H2,1H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins				Bioorg Med Chem 16: 4438-56 (2008) Article DOI: 10.1016/j.bmc.2008.02.059 BindingDB Entry DOI: 10.7270/Q20002Z0
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50376286 (CHEMBL260234) Show SMILES CC(=O)c1ccc-2c(Cc3cc(O)ccc-23)c1 Show InChI InChI=1S/C15H12O2/c1-9(16)10-2-4-14-11(6-10)7-12-8-13(17)3-5-15(12)14/h2-6,8,17H,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins				Bioorg Med Chem 16: 4438-56 (2008) Article DOI: 10.1016/j.bmc.2008.02.059 BindingDB Entry DOI: 10.7270/Q20002Z0
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50376296 (CHEMBL260075) Show SMILES CCc1cc(ccc1O)-c1ccc(cc1)C(C)=O Show InChI InChI=1S/C16H16O2/c1-3-12-10-15(8-9-16(12)18)14-6-4-13(5-7-14)11(2)17/h4-10,18H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins				Bioorg Med Chem 16: 4438-56 (2008) Article DOI: 10.1016/j.bmc.2008.02.059 BindingDB Entry DOI: 10.7270/Q20002Z0
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50376290 (CHEMBL259815) Show SMILES CCc1cc(ccc1OC)-c1ccc2C(=O)CCCc2c1 Show InChI InChI=1S/C19H20O2/c1-3-13-11-15(8-10-19(13)21-2)14-7-9-17-16(12-14)5-4-6-18(17)20/h7-12H,3-6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins				Bioorg Med Chem 16: 4438-56 (2008) Article DOI: 10.1016/j.bmc.2008.02.059 BindingDB Entry DOI: 10.7270/Q20002Z0
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50376294 (CHEMBL407865) Show SMILES CCc1cc(ccc1C(C)=O)-c1ccc(O)cc1 Show InChI InChI=1S/C16H16O2/c1-3-12-10-14(6-9-16(12)11(2)17)13-4-7-15(18)8-5-13/h4-10,18H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins				Bioorg Med Chem 16: 4438-56 (2008) Article DOI: 10.1016/j.bmc.2008.02.059 BindingDB Entry DOI: 10.7270/Q20002Z0
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50376291 (CHEMBL259814) Show SMILES Oc1ccc(cc1)-c1ccc2C(=O)CCCc2c1 Show InChI InChI=1S/C16H14O2/c17-14-7-4-11(5-8-14)12-6-9-15-13(10-12)2-1-3-16(15)18/h4-10,17H,1-3H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD1 expressed in intact human T47D cells after 30 mins				Bioorg Med Chem 16: 4438-56 (2008) Article DOI: 10.1016/j.bmc.2008.02.059 BindingDB Entry DOI: 10.7270/Q20002Z0
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50089959 (CHEMBL3581225) Show SMILES CCN(CC)C1(CCOCC1)c1nc(cs1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C26H40N2O2S/c1-9-28(10-2)26(11-13-30-14-12-26)23-27-21(17-31-23)18-15-19(24(3,4)5)22(29)20(16-18)25(6,7)8/h15-17,29H,9-14H2,1-8H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	72	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50089965 (CHEMBL3581222) Show SMILES CN(C)C1(CCOCC1)c1nc(cs1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C24H36N2O2S/c1-22(2,3)17-13-16(14-18(20(17)27)23(4,5)6)19-15-29-21(25-19)24(26(7)8)9-11-28-12-10-24/h13-15,27H,9-12H2,1-8H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	42	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50089968 (CHEMBL3581220) Show SMILES CN(C)C1(CCSCC1)c1nc(cs1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C24H36N2OS2/c1-22(2,3)17-13-16(14-18(20(17)27)23(4,5)6)19-15-29-21(25-19)24(26(7)8)9-11-28-12-10-24/h13-15,27H,9-12H2,1-8H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	59	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50089956 (CHEMBL3581228) Show SMILES CN(C)C1(CCOCC1)c1nc(co1)-c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C24H36N2O3/c1-22(2,3)17-13-16(14-18(20(17)27)23(4,5)6)19-15-29-21(25-19)24(26(7)8)9-11-28-12-10-24/h13-15,27H,9-12H2,1-8H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21283 (3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...) Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cc(ccc2I)[N+]([O-])=O)c2ccccc12 Show InChI InChI=1S/C22H22IN3O3/c1-24-11-5-4-6-16(24)13-25-14-19(17-7-2-3-8-21(17)25)22(27)18-12-15(26(28)29)9-10-20(18)23/h2-3,7-10,12,14,16H,4-6,11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50089958 (CHEMBL3581226) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1csc(n1)C1(CCOCC1)N1CCCCC1 Show InChI InChI=1S/C27H40N2O2S/c1-25(2,3)20-16-19(17-21(23(20)30)26(4,5)6)22-18-32-24(28-22)27(10-14-31-15-11-27)29-12-8-7-9-13-29/h16-18,30H,7-15H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
Ipsen Innovation Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 25: 88-91 (2015) Article DOI: 10.1016/j.bmcl.2014.11.003 BindingDB Entry DOI: 10.7270/Q2736SN4
					More data for this Ligand-Target Pair

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