Compile Data Set for Download or QSAR

Found 60 hits with Last Name = 'erker' and Initial = 't'   

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
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50217120 (1,2-dihydro-7-methoxy-3-(2,3,4-trimethoxyphenyl)-n...) Show SMILES COc1ccc2C=C(CCc2c1)c1ccc(OC)c(OC)c1OC |c:6| Show InChI InChI=1S/C20H22O4/c1-21-16-8-7-13-11-15(6-5-14(13)12-16)17-9-10-18(22-2)20(24-4)19(17)23-3/h7-12H,5-6H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by measuring PGE2				Bioorg Med Chem 15: 6109-18 (2007) Article DOI: 10.1016/j.bmc.2007.06.030 BindingDB Entry DOI: 10.7270/Q2G160JR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50217117 (2-(2,3,4-trimethoxyphenyl)-1H-indene | CHEMBL22856...) Show SMILES COc1ccc(C2=Cc3ccccc3C2)c(OC)c1OC |t:6| Show InChI InChI=1S/C18H18O3/c1-19-16-9-8-15(17(20-2)18(16)21-3)14-10-12-6-4-5-7-13(12)11-14/h4-10H,11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by measuring PGE2				Bioorg Med Chem 15: 6109-18 (2007) Article DOI: 10.1016/j.bmc.2007.06.030 BindingDB Entry DOI: 10.7270/Q2G160JR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50217121 (1,2-dihydro-3-(3,4-dimethoxyphenyl)-7-methoxynapht...) Show SMILES COc1ccc2C=C(CCc2c1)c1ccc(OC)c(OC)c1 |c:6| Show InChI InChI=1S/C19H20O3/c1-20-17-8-6-14-10-13(4-5-15(14)11-17)16-7-9-18(21-2)19(12-16)22-3/h6-12H,4-5H2,1-3H3	PDB MMDB NCI pathway 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	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by measuring PGE2				Bioorg Med Chem 15: 6109-18 (2007) Article DOI: 10.1016/j.bmc.2007.06.030 BindingDB Entry DOI: 10.7270/Q2G160JR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by measuring PGE2				Bioorg Med Chem 15: 6109-18 (2007) Article DOI: 10.1016/j.bmc.2007.06.030 BindingDB Entry DOI: 10.7270/Q2G160JR
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009280 (CHEMBL3233494) Show SMILES COc1cc2C\C(=C/C=C/c3ccc(cc3)N(C)C)C(=O)c2cc1OC Show InChI InChI=1S/C22H23NO3/c1-23(2)18-10-8-15(9-11-18)6-5-7-16-12-17-13-20(25-3)21(26-4)14-19(17)22(16)24/h5-11,13-14H,12H2,1-4H3/b6-5+,16-7+	PDB UniProtKB/SwissProt B.MOAD 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
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009293 (CHEMBL3233505) Show SMILES COc1cc(\C=C\C=C\C(=O)c2cccc(c2)C(=O)\C=C\C=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC Show InChI InChI=1S/C34H34O8/c1-37-29-18-23(19-30(38-2)33(29)41-5)12-7-9-16-27(35)25-14-11-15-26(22-25)28(36)17-10-8-13-24-20-31(39-3)34(42-6)32(21-24)40-4/h7-22H,1-6H3/b12-7+,13-8+,16-9+,17-10+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009290 (CHEMBL3233503) Show SMILES COc1cc(cc(OC)c1OC)C(=O)\C=C\c1cccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)c1 Show InChI InChI=1S/C30H30O8/c1-33-25-15-21(16-26(34-2)29(25)37-5)23(31)12-10-19-8-7-9-20(14-19)11-13-24(32)22-17-27(35-3)30(38-6)28(18-22)36-4/h7-18H,1-6H3/b12-10+,13-11+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009279 (CHEMBL2220507) Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N(C)C)C(=O)c2cc1OC Show InChI InChI=1S/C20H21NO3/c1-21(2)16-7-5-13(6-8-16)9-15-10-14-11-18(23-3)19(24-4)12-17(14)20(15)22/h5-9,11-12H,10H2,1-4H3/b15-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009289 (CHEMBL3233502) Show SMILES COc1ccc(cc1OC)C(=O)\C=C\c1cccc(\C=C\C(=O)c2ccc(OC)c(OC)c2)c1 Show InChI InChI=1S/C28H26O6/c1-31-25-14-10-21(17-27(25)33-3)23(29)12-8-19-6-5-7-20(16-19)9-13-24(30)22-11-15-26(32-2)28(18-22)34-4/h5-18H,1-4H3/b12-8+,13-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009282 (CHEMBL3233496) Show SMILES COc1cc2CC\C(=C/C=C/c3cc(OC)c(OC)c(OC)c3)C(=O)c2cc1OC Show InChI InChI=1S/C24H26O6/c1-26-19-13-17-10-9-16(23(25)18(17)14-20(19)27-2)8-6-7-15-11-21(28-3)24(30-5)22(12-15)29-4/h6-8,11-14H,9-10H2,1-5H3/b7-6+,16-8+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009292 (CHEMBL3233504) Show SMILES COc1cc(\C=C\C(=O)c2cccc(c2)C(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC Show InChI InChI=1S/C30H30O8/c1-33-25-14-19(15-26(34-2)29(25)37-5)10-12-23(31)21-8-7-9-22(18-21)24(32)13-11-20-16-27(35-3)30(38-6)28(17-20)36-4/h7-18H,1-6H3/b12-10+,13-11+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50217121 (1,2-dihydro-3-(3,4-dimethoxyphenyl)-7-methoxynapht...) Show SMILES COc1ccc2C=C(CCc2c1)c1ccc(OC)c(OC)c1 |c:6| Show InChI InChI=1S/C19H20O3/c1-20-17-8-6-14-10-13(4-5-15(14)11-17)16-7-9-18(21-2)19(12-16)22-3/h6-12H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by measuring PGE2				Bioorg Med Chem 15: 6109-18 (2007) Article DOI: 10.1016/j.bmc.2007.06.030 BindingDB Entry DOI: 10.7270/Q2G160JR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50217115 (2-(2-methoxyphenyl)-1H-indene | CHEMBL376583) Show SMILES COc1ccccc1C1=Cc2ccccc2C1 |t:9| Show InChI InChI=1S/C16H14O/c1-17-16-9-5-4-8-15(16)14-10-12-6-2-3-7-13(12)11-14/h2-10H,11H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by measuring PGE2				Bioorg Med Chem 15: 6109-18 (2007) Article DOI: 10.1016/j.bmc.2007.06.030 BindingDB Entry DOI: 10.7270/Q2G160JR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50217119 (1,2-dihydro-3-(2,3,4-trimethoxyphenyl)naphthalene ...) Show SMILES COc1ccc(C2=Cc3ccccc3CC2)c(OC)c1OC |t:6| Show InChI InChI=1S/C19H20O3/c1-20-17-11-10-16(18(21-2)19(17)22-3)15-9-8-13-6-4-5-7-14(13)12-15/h4-7,10-12H,8-9H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by measuring PGE2				Bioorg Med Chem 15: 6109-18 (2007) Article DOI: 10.1016/j.bmc.2007.06.030 BindingDB Entry DOI: 10.7270/Q2G160JR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	535	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by measuring PGE2				Bioorg Med Chem 15: 6109-18 (2007) Article DOI: 10.1016/j.bmc.2007.06.030 BindingDB Entry DOI: 10.7270/Q2G160JR
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009277 (CHEMBL3233492) Show SMILES COc1cc(cc(OC)c1OC)C(=O)\C=C\c1ccccc1SC Show InChI InChI=1S/C19H20O4S/c1-21-16-11-14(12-17(22-2)19(16)23-3)15(20)10-9-13-7-5-6-8-18(13)24-4/h5-12H,1-4H3/b10-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50217119 (1,2-dihydro-3-(2,3,4-trimethoxyphenyl)naphthalene ...) Show SMILES COc1ccc(C2=Cc3ccccc3CC2)c(OC)c1OC |t:6| Show InChI InChI=1S/C19H20O3/c1-20-17-11-10-16(18(21-2)19(17)22-3)15-9-8-13-6-4-5-7-14(13)12-15/h4-7,10-12H,8-9H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by measuring PGE2				Bioorg Med Chem 15: 6109-18 (2007) Article DOI: 10.1016/j.bmc.2007.06.030 BindingDB Entry DOI: 10.7270/Q2G160JR
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009278 (CHEMBL3233493) Show SMILES COc1cc(cc(OC)c1OC)C(=O)\C=C\C=C\c1ccccc1SC Show InChI InChI=1S/C21H22O4S/c1-23-18-13-16(14-19(24-2)21(18)25-3)17(22)11-7-5-9-15-10-6-8-12-20(15)26-4/h5-14H,1-4H3/b9-5+,11-7+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	996	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by measuring PGE2				Bioorg Med Chem 15: 6109-18 (2007) Article DOI: 10.1016/j.bmc.2007.06.030 BindingDB Entry DOI: 10.7270/Q2G160JR
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009284 (CHEMBL3233497) Show SMILES COc1ccc2C\C(=C/C=C/c3cc(OC)c(OC)c(OC)c3)C(=O)c2c1 Show InChI InChI=1S/C22H22O5/c1-24-17-9-8-15-12-16(21(23)18(15)13-17)7-5-6-14-10-19(25-2)22(27-4)20(11-14)26-3/h5-11,13H,12H2,1-4H3/b6-5+,16-7+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50217117 (2-(2,3,4-trimethoxyphenyl)-1H-indene | CHEMBL22856...) Show SMILES COc1ccc(C2=Cc3ccccc3C2)c(OC)c1OC |t:6| Show InChI InChI=1S/C18H18O3/c1-19-16-9-8-15(17(20-2)18(16)21-3)14-10-12-6-4-5-7-13(12)11-14/h4-10H,11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by measuring PGE2				Bioorg Med Chem 15: 6109-18 (2007) Article DOI: 10.1016/j.bmc.2007.06.030 BindingDB Entry DOI: 10.7270/Q2G160JR
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009275 (CHEMBL3233220) Show SMILES COc1ccccc1\C=C\C=C\C(=O)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C21H22O5/c1-23-18-12-8-6-10-15(18)9-5-7-11-17(22)16-13-19(24-2)21(26-4)20(14-16)25-3/h5-14H,1-4H3/b9-5+,11-7+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009283 (CHEMBL3233017) Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C23H24O5/c1-25-18-10-11-19-17(14-18)9-8-16(22(19)24)7-5-6-15-12-20(26-2)23(28-4)21(13-15)27-3/h5-7,10-14H,8-9H2,1-4H3/b6-5+,16-7+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009286 (CHEMBL3233499) Show SMILES COc1cc(\C=C\C=C2/Cc3ccc(OC)c(OC)c3C2=O)ccc1O Show InChI InChI=1S/C21H20O5/c1-24-17-10-8-14-12-15(20(23)19(14)21(17)26-3)6-4-5-13-7-9-16(22)18(11-13)25-2/h4-11,22H,12H2,1-3H3/b5-4+,15-6+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009285 (CHEMBL3233498) Show SMILES COc1ccc2C\C(=C/C=C/c3cc(OC)c(OC)c(OC)c3)C(=O)c2c1OC Show InChI InChI=1S/C23H24O6/c1-25-17-10-9-15-13-16(21(24)20(15)23(17)29-5)8-6-7-14-11-18(26-2)22(28-4)19(12-14)27-3/h6-12H,13H2,1-5H3/b7-6+,16-8+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009274 (CHEMBL3233219) Show SMILES COc1ccc(cc1OC)C(=O)\C=C\c1ccc(OC)c2ccccc12 Show InChI InChI=1S/C22H20O4/c1-24-20-12-9-15(17-6-4-5-7-18(17)20)8-11-19(23)16-10-13-21(25-2)22(14-16)26-3/h4-14H,1-3H3/b11-8+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009281 (CHEMBL3233495) Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1ccc2ccccc2c1 Show InChI InChI=1S/C22H18O2/c1-24-20-10-11-21-18(14-20)8-9-19(22(21)23)13-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,10-14H,8-9H2,1H3/b19-13+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009287 (CHEMBL3233500) Show SMILES COc1ccc2C(=O)\C(Cc2c1)=C\C=C\c1ccccc1OC Show InChI InChI=1S/C20H18O3/c1-22-17-10-11-18-16(13-17)12-15(20(18)21)8-5-7-14-6-3-4-9-19(14)23-2/h3-11,13H,12H2,1-2H3/b7-5+,15-8+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009273 (CHEMBL3233218) Show SMILES COc1ccccc1C(=O)\C=C\c1c(C)cc(C)cc1C Show InChI InChI=1S/C19H20O2/c1-13-11-14(2)16(15(3)12-13)9-10-18(20)17-7-5-6-8-19(17)21-4/h5-12H,1-4H3/b10-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009276 (CHEMBL3233491) Show SMILES COc1ccccc1\C=C\C=C\C(=O)c1cc(OC)c(O)c(OC)c1 Show InChI InChI=1S/C20H20O5/c1-23-17-11-7-5-9-14(17)8-4-6-10-16(21)15-12-18(24-2)20(22)19(13-15)25-3/h4-13,22H,1-3H3/b8-4+,10-6+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50217118 (5-(2-1H-indenyl)-1,3-benzodioxole | CHEMBL229139) Show SMILES C1Oc2ccc(cc2O1)C1=Cc2ccccc2C1 |t:11| Show InChI InChI=1S/C16H12O2/c1-2-4-12-8-14(7-11(12)3-1)13-5-6-15-16(9-13)18-10-17-15/h1-7,9H,8,10H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by measuring PGE2				Bioorg Med Chem 15: 6109-18 (2007) Article DOI: 10.1016/j.bmc.2007.06.030 BindingDB Entry DOI: 10.7270/Q2G160JR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by measuring PGE2				Bioorg Med Chem 15: 6109-18 (2007) Article DOI: 10.1016/j.bmc.2007.06.030 BindingDB Entry DOI: 10.7270/Q2G160JR
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009294 (CHEMBL3233506) Show SMILES COC(=O)C1=C(O)\C(CCC1)=C\C=C\c1ccccc1OC |c:4| Show InChI InChI=1S/C18H20O4/c1-21-16-12-4-3-7-13(16)8-5-9-14-10-6-11-15(17(14)19)18(20)22-2/h3-5,7-9,12,19H,6,10-11H2,1-2H3/b8-5+,14-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50217116 (1,2-dihydro-3-(3,4-dimethoxyphenyl)naphthalene | C...) Show SMILES COc1ccc(cc1OC)C1=Cc2ccccc2CC1 |t:11| Show InChI InChI=1S/C18H18O2/c1-19-17-10-9-16(12-18(17)20-2)15-8-7-13-5-3-4-6-14(13)11-15/h3-6,9-12H,7-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by measuring PGE2				Bioorg Med Chem 15: 6109-18 (2007) Article DOI: 10.1016/j.bmc.2007.06.030 BindingDB Entry DOI: 10.7270/Q2G160JR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50217115 (2-(2-methoxyphenyl)-1H-indene | CHEMBL376583) Show SMILES COc1ccccc1C1=Cc2ccccc2C1 |t:9| Show InChI InChI=1S/C16H14O/c1-17-16-9-5-4-8-15(16)14-10-12-6-2-3-7-13(12)11-14/h2-10H,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by measuring PGE2				Bioorg Med Chem 15: 6109-18 (2007) Article DOI: 10.1016/j.bmc.2007.06.030 BindingDB Entry DOI: 10.7270/Q2G160JR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM22360 (2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by measuring PGE2				Bioorg Med Chem 15: 6109-18 (2007) Article DOI: 10.1016/j.bmc.2007.06.030 BindingDB Entry DOI: 10.7270/Q2G160JR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50217122 (5-(1,2-dihydro-3-naphthalenyl)-1,3-benzodioxole | ...) Show SMILES C1Oc2ccc(cc2O1)C1=Cc2ccccc2CC1 |t:11| Show InChI InChI=1S/C17H14O2/c1-2-4-13-9-14(6-5-12(13)3-1)15-7-8-16-17(10-15)19-11-18-16/h1-4,7-10H,5-6,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by measuring PGE2				Bioorg Med Chem 15: 6109-18 (2007) Article DOI: 10.1016/j.bmc.2007.06.030 BindingDB Entry DOI: 10.7270/Q2G160JR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50217118 (5-(2-1H-indenyl)-1,3-benzodioxole | CHEMBL229139) Show SMILES C1Oc2ccc(cc2O1)C1=Cc2ccccc2C1 |t:11| Show InChI InChI=1S/C16H12O2/c1-2-4-12-8-14(7-11(12)3-1)13-5-6-15-16(9-13)18-10-17-15/h1-7,9H,8,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by measuring PGE2				Bioorg Med Chem 15: 6109-18 (2007) Article DOI: 10.1016/j.bmc.2007.06.030 BindingDB Entry DOI: 10.7270/Q2G160JR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22360 (2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by measuring PGE2				Bioorg Med Chem 15: 6109-18 (2007) Article DOI: 10.1016/j.bmc.2007.06.030 BindingDB Entry DOI: 10.7270/Q2G160JR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50217116 (1,2-dihydro-3-(3,4-dimethoxyphenyl)naphthalene | C...) Show SMILES COc1ccc(cc1OC)C1=Cc2ccccc2CC1 |t:11| Show InChI InChI=1S/C18H18O2/c1-19-17-10-9-16(12-18(17)20-2)15-8-7-13-5-3-4-6-14(13)11-15/h3-6,9-12H,7-8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by measuring PGE2				Bioorg Med Chem 15: 6109-18 (2007) Article DOI: 10.1016/j.bmc.2007.06.030 BindingDB Entry DOI: 10.7270/Q2G160JR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50217120 (1,2-dihydro-7-methoxy-3-(2,3,4-trimethoxyphenyl)-n...) Show SMILES COc1ccc2C=C(CCc2c1)c1ccc(OC)c(OC)c1OC |c:6| Show InChI InChI=1S/C20H22O4/c1-21-16-8-7-13-11-15(6-5-14(13)12-16)17-9-10-18(22-2)20(24-4)19(17)23-3/h7-12H,5-6H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 by measuring PGE2				Bioorg Med Chem 15: 6109-18 (2007) Article DOI: 10.1016/j.bmc.2007.06.030 BindingDB Entry DOI: 10.7270/Q2G160JR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50217122 (5-(1,2-dihydro-3-naphthalenyl)-1,3-benzodioxole | ...) Show SMILES C1Oc2ccc(cc2O1)C1=Cc2ccccc2CC1 |t:11| Show InChI InChI=1S/C17H14O2/c1-2-4-13-9-14(6-5-12(13)3-1)15-7-8-16-17(10-15)19-11-18-16/h1-4,7-10H,5-6,11H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by measuring PGE2				Bioorg Med Chem 15: 6109-18 (2007) Article DOI: 10.1016/j.bmc.2007.06.030 BindingDB Entry DOI: 10.7270/Q2G160JR
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009288 (CHEMBL3233501) Show SMILES COc1cc(cc(OC)c1OC)C(=O)\C=C\c1ccc(cc1)C(O)=O Show InChI InChI=1S/C19H18O6/c1-23-16-10-14(11-17(24-2)18(16)25-3)15(20)9-6-12-4-7-13(8-5-12)19(21)22/h4-11H,1-3H3,(H,21,22)/b9-6+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.41E+5	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50497215 (CHEMBL3289482) Show SMILES CC(C)N(C(C)C)C(=O)c1cccc(c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C20H23NO3/c1-13(2)21(14(3)4)20(22)17-7-5-6-15(10-17)16-8-9-18-19(11-16)24-12-23-18/h5-11,13-14H,12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.53E+4	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Modulation of GABAA alpha1beta2gamma2S receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induced chlorid...				J Med Chem 57: 5602-19 (2014) Article DOI: 10.1021/jm5002277 BindingDB Entry DOI: 10.7270/Q25X2CXW
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50497207 (CHEMBL3289501) Show SMILES CCCN(CCC)C(=O)c1cccc2cc3OCOc3cc12 Show InChI InChI=1S/C18H21NO3/c1-3-8-19(9-4-2)18(20)14-7-5-6-13-10-16-17(11-15(13)14)22-12-21-16/h5-7,10-11H,3-4,8-9,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.02E+5	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Modulation of GABAA alpha1beta2gamma2S receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induced chlorid...				J Med Chem 57: 5602-19 (2014) Article DOI: 10.1021/jm5002277 BindingDB Entry DOI: 10.7270/Q25X2CXW
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50497208 (CHEMBL3289196) Show SMILES CCCCN(CCCC)C(=O)\C=C\C=C\c1ccc2OCOc2c1 Show InChI InChI=1S/C20H27NO3/c1-3-5-13-21(14-6-4-2)20(22)10-8-7-9-17-11-12-18-19(15-17)24-16-23-18/h7-12,15H,3-6,13-14,16H2,1-2H3/b9-7+,10-8+	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Modulation of GABAA alpha3beta2gamma2S receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as modulation of GABA-induced chloride ...				J Med Chem 57: 5602-19 (2014) Article DOI: 10.1021/jm5002277 BindingDB Entry DOI: 10.7270/Q25X2CXW
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50497209 (CHEMBL3289485) Show SMILES CCCCN(CCCC)C(=O)c1ccccc1-c1ccc2OCOc2c1 Show InChI InChI=1S/C22H27NO3/c1-3-5-13-23(14-6-4-2)22(24)19-10-8-7-9-18(19)17-11-12-20-21(15-17)26-16-25-20/h7-12,15H,3-6,13-14,16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.68E+4	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Modulation of GABAA alpha1beta2gamma2S receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induced chlorid...				J Med Chem 57: 5602-19 (2014) Article DOI: 10.1021/jm5002277 BindingDB Entry DOI: 10.7270/Q25X2CXW
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50497210 (CHEMBL3289204) Show SMILES CC1CCN(CC1)C(=O)\C=C\C=C\c1ccc2OCOc2c1 Show InChI InChI=1S/C18H21NO3/c1-14-8-10-19(11-9-14)18(20)5-3-2-4-15-6-7-16-17(12-15)22-13-21-16/h2-7,12,14H,8-11,13H2,1H3/b4-2+,5-3+	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.77E+4	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Modulation of GABAA alpha1beta2gamma2S receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induced chlorid...				J Med Chem 57: 5602-19 (2014) Article DOI: 10.1021/jm5002277 BindingDB Entry DOI: 10.7270/Q25X2CXW
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50497211 (CHEMBL3289476) Show SMILES CCCN(CCC)C(=O)c1ccc(cc1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C20H23NO3/c1-3-11-21(12-4-2)20(22)16-7-5-15(6-8-16)17-9-10-18-19(13-17)24-14-23-18/h5-10,13H,3-4,11-12,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.08E+4	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Modulation of GABAA alpha1beta2gamma2S receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induced chlorid...				J Med Chem 57: 5602-19 (2014) Article DOI: 10.1021/jm5002277 BindingDB Entry DOI: 10.7270/Q25X2CXW
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50497208 (CHEMBL3289196) Show SMILES CCCCN(CCCC)C(=O)\C=C\C=C\c1ccc2OCOc2c1 Show InChI InChI=1S/C20H27NO3/c1-3-5-13-21(14-6-4-2)20(22)10-8-7-9-17-11-12-18-19(15-17)24-16-23-18/h7-12,15H,3-6,13-14,16H2,1-2H3/b9-7+,10-8+	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Modulation of GABAA alpha1beta2gamma2S receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induced chlorid...				J Med Chem 57: 5602-19 (2014) Article DOI: 10.1021/jm5002277 BindingDB Entry DOI: 10.7270/Q25X2CXW
					More data for this Ligand-Target Pair

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