Compile Data Set for Download or QSAR

Found 257 hits with Last Name = 'marr' and Initial = 'f'   

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
Mu-type opioid receptor (MOUSE)	BDBM50533716 (CHEMBL4453504) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2ccccc2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(20(25)15-7-5-6-8-18(15)23-22)19(24)11-16(14)17(13-27-2)21(26)28-3/h5-8,13-14,16,19,23H,4,9-12H2,1-3H3/b17-13+/t14-,16+,19+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse mu opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50533717 (CHEMBL4449284) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(C#N)c2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C23H27N3O4/c1-4-14-12-26-9-8-23(19(26)10-16(14)17(13-29-2)22(28)30-3)21(27)20-15(11-24)6-5-7-18(20)25-23/h5-7,13-14,16,19,25H,4,8-10,12H2,1-3H3/b17-13+/t14-,16+,19+,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse mu opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50474150 (CHEMBL58362) Show SMILES [H][C@@]12C[C@]([H])(C(=C/OC)\C(=O)OC)[C@]([H])(CC)CN1CC[C@]21Nc2cccc(OC)c2C1=O Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse mu opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Delta-type opioid receptor (MOUSE)	BDBM50528969 (CHEMBL4458337) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(c2C1=O)-c1ccccc1)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C28H32N2O4/c1-4-18-16-30-14-13-28(24(30)15-21(18)22(17-33-2)27(32)34-3)26(31)25-20(11-8-12-23(25)29-28)19-9-6-5-7-10-19/h5-12,17-18,21,24,29H,4,13-16H2,1-3H3/b22-17+/t18-,21+,24+,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse delta opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50528969 (CHEMBL4458337) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(c2C1=O)-c1ccccc1)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C28H32N2O4/c1-4-18-16-30-14-13-28(24(30)15-21(18)22(17-33-2)27(32)34-3)26(31)25-20(11-8-12-23(25)29-28)19-9-6-5-7-10-19/h5-12,17-18,21,24,29H,4,13-16H2,1-3H3/b22-17+/t18-,21+,24+,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse mu opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50533719 (CHEMBL4441457) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(-c3ccoc3)c2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C26H30N2O5/c1-4-16-13-28-10-9-26(22(28)12-19(16)20(15-31-2)25(30)32-3)24(29)23-18(17-8-11-33-14-17)6-5-7-21(23)27-26/h5-8,11,14-16,19,22,27H,4,9-10,12-13H2,1-3H3/b20-15+/t16-,19+,22+,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse mu opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50533718 (CHEMBL4530421) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(O)c2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C22H28N2O5/c1-4-13-11-24-9-8-22(20(26)19-16(23-22)6-5-7-17(19)25)18(24)10-14(13)15(12-28-2)21(27)29-3/h5-7,12-14,18,23,25H,4,8-11H2,1-3H3/b15-12+/t13-,14+,18+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse mu opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50533719 (CHEMBL4441457) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(-c3ccoc3)c2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C26H30N2O5/c1-4-16-13-28-10-9-26(22(28)12-19(16)20(15-31-2)25(30)32-3)24(29)23-18(17-8-11-33-14-17)6-5-7-21(23)27-26/h5-8,11,14-16,19,22,27H,4,9-10,12-13H2,1-3H3/b20-15+/t16-,19+,22+,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse delta opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50533717 (CHEMBL4449284) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(C#N)c2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C23H27N3O4/c1-4-14-12-26-9-8-23(19(26)10-16(14)17(13-29-2)22(28)30-3)21(27)20-15(11-24)6-5-7-18(20)25-23/h5-7,13-14,16,19,25H,4,8-10,12H2,1-3H3/b17-13+/t14-,16+,19+,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse delta opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50533720 (CHEMBL4557905) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(OC(C)=O)c2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C24H30N2O6/c1-5-15-12-26-10-9-24(20(26)11-16(15)17(13-30-3)23(29)31-4)22(28)21-18(25-24)7-6-8-19(21)32-14(2)27/h6-8,13,15-16,20,25H,5,9-12H2,1-4H3/b17-13+/t15-,16+,20+,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse mu opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50533716 (CHEMBL4453504) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2ccccc2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(20(25)15-7-5-6-8-18(15)23-22)19(24)11-16(14)17(13-27-2)21(26)28-3/h5-8,13-14,16,19,23H,4,9-12H2,1-3H3/b17-13+/t14-,16+,19+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse delta opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50474150 (CHEMBL58362) Show SMILES [H][C@@]12C[C@]([H])(C(=C/OC)\C(=O)OC)[C@]([H])(CC)CN1CC[C@]21Nc2cccc(OC)c2C1=O Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse delta opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50533718 (CHEMBL4530421) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(O)c2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C22H28N2O5/c1-4-13-11-24-9-8-22(20(26)19-16(23-22)6-5-7-17(19)25)18(24)10-14(13)15(12-28-2)21(27)29-3/h5-7,12-14,18,23,25H,4,8-11H2,1-3H3/b15-12+/t13-,14+,18+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse delta opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50533716 (CHEMBL4453504) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2ccccc2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(20(25)15-7-5-6-8-18(15)23-22)19(24)11-16(14)17(13-27-2)21(26)28-3/h5-8,13-14,16,19,23H,4,9-12H2,1-3H3/b17-13+/t14-,16+,19+,22+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse kappa opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50533720 (CHEMBL4557905) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(OC(C)=O)c2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C24H30N2O6/c1-5-15-12-26-10-9-24(20(26)11-16(15)17(13-30-3)23(29)31-4)22(28)21-18(25-24)7-6-8-19(21)32-14(2)27/h6-8,13,15-16,20,25H,5,9-12H2,1-4H3/b17-13+/t15-,16+,20+,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse delta opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50474150 (CHEMBL58362) Show SMILES [H][C@@]12C[C@]([H])(C(=C/OC)\C(=O)OC)[C@]([H])(CC)CN1CC[C@]21Nc2cccc(OC)c2C1=O Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse kappa opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50533720 (CHEMBL4557905) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(OC(C)=O)c2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C24H30N2O6/c1-5-15-12-26-10-9-24(20(26)11-16(15)17(13-30-3)23(29)31-4)22(28)21-18(25-24)7-6-8-19(21)32-14(2)27/h6-8,13,15-16,20,25H,5,9-12H2,1-4H3/b17-13+/t15-,16+,20+,24+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse kappa opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50474153 (CHEMBL61630) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@@]1(O)C2=Nc2cccc(OC)c12)C(=C/OC)\C(=O)OC |t:15| Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(27)20-17(7-6-8-19(20)29-3)24-21(23)18(25)11-15(14)16(13-28-2)22(26)30-4/h6-8,13-15,18,27H,5,9-12H2,1-4H3/b16-13+/t14-,15+,18+,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse mu opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50533719 (CHEMBL4441457) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(-c3ccoc3)c2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C26H30N2O5/c1-4-16-13-28-10-9-26(22(28)12-19(16)20(15-31-2)25(30)32-3)24(29)23-18(17-8-11-33-14-17)6-5-7-21(23)27-26/h5-8,11,14-16,19,22,27H,4,9-10,12-13H2,1-3H3/b20-15+/t16-,19+,22+,26+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse kappa opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50533717 (CHEMBL4449284) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(C#N)c2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C23H27N3O4/c1-4-14-12-26-9-8-23(19(26)10-16(14)17(13-29-2)22(28)30-3)21(27)20-15(11-24)6-5-7-18(20)25-23/h5-7,13-14,16,19,25H,4,8-10,12H2,1-3H3/b17-13+/t14-,16+,19+,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse kappa opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50528969 (CHEMBL4458337) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(c2C1=O)-c1ccccc1)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C28H32N2O4/c1-4-18-16-30-14-13-28(24(30)15-21(18)22(17-33-2)27(32)34-3)26(31)25-20(11-8-12-23(25)29-28)19-9-6-5-7-10-19/h5-12,17-18,21,24,29H,4,13-16H2,1-3H3/b22-17+/t18-,21+,24+,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse kappa opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50474153 (CHEMBL61630) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@@]1(O)C2=Nc2cccc(OC)c12)C(=C/OC)\C(=O)OC |t:15| Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(27)20-17(7-6-8-19(20)29-3)24-21(23)18(25)11-15(14)16(13-28-2)22(26)30-4/h6-8,13-15,18,27H,5,9-12H2,1-4H3/b16-13+/t14-,15+,18+,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse delta opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50153727 (CHEMBL3774695) Show SMILES [H][C@@]12[C@@H](OC(=O)c3cccnc3)[C@]3(OC1(C)C)[C@@](C)(O)CC[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C39H41NO10/c1-24(41)46-28-20-21-37(4,45)39-32(48-35(44)27-17-12-22-40-23-27)30(36(2,3)50-39)31(47-29(42)19-18-25-13-8-6-9-14-25)33(38(28,39)5)49-34(43)26-15-10-7-11-16-26/h6-19,22-23,28,30-33,45H,20-21H2,1-5H3/b19-18+/t28-,30+,31-,32+,33-,37-,38-,39-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica"Antonio Gonz£lez" Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH/3T3 cells assessed as inhibition of daunomycin efflux incubated for 30 mins by flow cytometry				J Med Chem 59: 1880-90 (2016) Article DOI: 10.1021/acs.jmedchem.5b01429 BindingDB Entry DOI: 10.7270/Q2CN75R5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50474153 (CHEMBL61630) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@@]1(O)C2=Nc2cccc(OC)c12)C(=C/OC)\C(=O)OC |t:15| Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(27)20-17(7-6-8-19(20)29-3)24-21(23)18(25)11-15(14)16(13-28-2)22(26)30-4/h6-8,13-15,18,27H,5,9-12H2,1-4H3/b16-13+/t14-,15+,18+,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse kappa opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50533722 (CHEMBL4476666) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21N(Cc2ccccc2)c2cccc(OC)c2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C30H36N2O5/c1-5-21-18-31-15-14-30(26(31)16-22(21)23(19-35-2)29(34)37-4)28(33)27-24(12-9-13-25(27)36-3)32(30)17-20-10-7-6-8-11-20/h6-13,19,21-22,26H,5,14-18H2,1-4H3/b23-19+/t21-,22+,26+,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	136	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse kappa opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50533718 (CHEMBL4530421) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(O)c2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C22H28N2O5/c1-4-13-11-24-9-8-22(20(26)19-16(23-22)6-5-7-17(19)25)18(24)10-14(13)15(12-28-2)21(27)29-3/h5-7,12-14,18,23,25H,4,8-11H2,1-3H3/b15-12+/t13-,14+,18+,22+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse kappa opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50153737 (CHEMBL3774786) Show SMILES [H][C@@]12[C@@H](OC(=O)CCC(=O)N(C3CCCCC3)C(=O)NC3CCCCC3)[C@]3(OC1(C)C)[C@@](C)(O)CC[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C50H64N2O12/c1-32(53)60-37-30-31-48(4,59)50-43(62-40(56)29-27-38(54)52(36-24-16-9-17-25-36)46(58)51-35-22-14-8-15-23-35)41(47(2,3)64-50)42(61-39(55)28-26-33-18-10-6-11-19-33)44(49(37,50)5)63-45(57)34-20-12-7-13-21-34/h6-7,10-13,18-21,26,28,35-37,41-44,59H,8-9,14-17,22-25,27,29-31H2,1-5H3,(H,51,58)/b28-26+/t37-,41+,42-,43+,44-,48-,49-,50-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica"Antonio Gonz£lez" Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH/3T3 cells assessed as inhibition of daunomycin efflux incubated for 30 mins by flow cytometry				J Med Chem 59: 1880-90 (2016) Article DOI: 10.1021/acs.jmedchem.5b01429 BindingDB Entry DOI: 10.7270/Q2CN75R5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50474152 (CHEBI:6956 | CHEMBL299031) Show SMILES [H][C@@]1(CC)CN2CCc3c([nH]c4cccc(OC)c34)[C@]2([H])C[C@]1([H])C(=C/OC)\C(=O)OC Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse mu opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50153735 (CHEMBL3774970) Show SMILES [H][C@@]12[C@@H](OC(=O)CCC(=O)OC)[C@]3(OC1(C)C)[C@@](C)(O)CC[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C38H44O12/c1-23(39)46-26-21-22-36(4,44)38-32(48-29(42)20-19-27(40)45-6)30(35(2,3)50-38)31(47-28(41)18-17-24-13-9-7-10-14-24)33(37(26,38)5)49-34(43)25-15-11-8-12-16-25/h7-18,26,30-33,44H,19-22H2,1-6H3/b18-17+/t26-,30+,31-,32+,33-,36-,37-,38-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica"Antonio Gonz£lez" Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH/3T3 cells assessed as inhibition of daunomycin efflux incubated for 30 mins by flow cytometry				J Med Chem 59: 1880-90 (2016) Article DOI: 10.1021/acs.jmedchem.5b01429 BindingDB Entry DOI: 10.7270/Q2CN75R5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50474152 (CHEBI:6956 | CHEMBL299031) Show SMILES [H][C@@]1(CC)CN2CCc3c([nH]c4cccc(OC)c34)[C@]2([H])C[C@]1([H])C(=C/OC)\C(=O)OC Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	231	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse kappa opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50153725 (CHEMBL3775153) Show SMILES [H][C@@]12[C@@H](OC(=O)C3CC3)[C@]3(OC1(C)C)[C@@](C)(O)CC[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C37H42O10/c1-22(38)43-26-20-21-35(4,42)37-30(45-33(41)25-17-18-25)28(34(2,3)47-37)29(44-27(39)19-16-23-12-8-6-9-13-23)31(36(26,37)5)46-32(40)24-14-10-7-11-15-24/h6-16,19,25-26,28-31,42H,17-18,20-21H2,1-5H3/b19-16+/t26-,28+,29-,30+,31-,35-,36-,37-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica"Antonio Gonz£lez" Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH/3T3 cells assessed as inhibition of daunomycin efflux incubated for 30 mins by flow cytometry				J Med Chem 59: 1880-90 (2016) Article DOI: 10.1021/acs.jmedchem.5b01429 BindingDB Entry DOI: 10.7270/Q2CN75R5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50533722 (CHEMBL4476666) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21N(Cc2ccccc2)c2cccc(OC)c2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C30H36N2O5/c1-5-21-18-31-15-14-30(26(31)16-22(21)23(19-35-2)29(34)37-4)28(33)27-24(12-9-13-25(27)36-3)32(30)17-20-10-7-6-8-11-20/h6-13,19,21-22,26H,5,14-18H2,1-4H3/b23-19+/t21-,22+,26+,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	249	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse mu opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50153733 (CHEMBL3775128) Show SMILES [H][C@@]12[C@@H](OC(=O)c3ccccc3)[C@]3(OC1(C)C)[C@@](C)(O)CC[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)\C=C/c1ccccc1 |r| Show InChI InChI=1S/C40H42O10/c1-25(41)46-29-23-24-38(4,45)40-33(48-35(43)27-17-11-7-12-18-27)31(37(2,3)50-40)32(47-30(42)22-21-26-15-9-6-10-16-26)34(39(29,40)5)49-36(44)28-19-13-8-14-20-28/h6-22,29,31-34,45H,23-24H2,1-5H3/b22-21-/t29-,31+,32-,33+,34-,38-,39-,40-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica"Antonio Gonz£lez" Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH/3T3 cells assessed as inhibition of daunomycin efflux incubated for 30 mins by flow cytometry				J Med Chem 59: 1880-90 (2016) Article DOI: 10.1021/acs.jmedchem.5b01429 BindingDB Entry DOI: 10.7270/Q2CN75R5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50533722 (CHEMBL4476666) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21N(Cc2ccccc2)c2cccc(OC)c2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C30H36N2O5/c1-5-21-18-31-15-14-30(26(31)16-22(21)23(19-35-2)29(34)37-4)28(33)27-24(12-9-13-25(27)36-3)32(30)17-20-10-7-6-8-11-20/h6-13,19,21-22,26H,5,14-18H2,1-4H3/b23-19+/t21-,22+,26+,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	258	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse delta opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50153736 (CHEMBL3775201) Show SMILES [H][C@@]12[C@@H](OC(=O)CCC(=O)OCC)[C@]3(OC1(C)C)[C@@](C)(O)CC[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C39H46O12/c1-7-46-28(41)20-21-30(43)49-33-31-32(48-29(42)19-18-25-14-10-8-11-15-25)34(50-35(44)26-16-12-9-13-17-26)38(6)27(47-24(2)40)22-23-37(5,45)39(33,38)51-36(31,3)4/h8-19,27,31-34,45H,7,20-23H2,1-6H3/b19-18+/t27-,31+,32-,33+,34-,37-,38-,39-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica"Antonio Gonz£lez" Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH/3T3 cells assessed as inhibition of daunomycin efflux incubated for 30 mins by flow cytometry				J Med Chem 59: 1880-90 (2016) Article DOI: 10.1021/acs.jmedchem.5b01429 BindingDB Entry DOI: 10.7270/Q2CN75R5
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50153718 (CHEMBL450532) Show SMILES [H][C@@]12[C@@H](O)[C@]3(OC1(C)C)[C@@](C)(O)CC[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C33H38O9/c1-20(34)39-23-18-19-31(4,38)33-27(36)25(30(2,3)42-33)26(40-24(35)17-16-21-12-8-6-9-13-21)28(32(23,33)5)41-29(37)22-14-10-7-11-15-22/h6-17,23,25-28,36,38H,18-19H2,1-5H3/b17-16+/t23-,25+,26-,27+,28-,31-,32-,33-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica"Antonio Gonz£lez" Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH/3T3 cells assessed as inhibition of daunomycin efflux incubated for 30 mins by flow cytometry				J Med Chem 59: 1880-90 (2016) Article DOI: 10.1021/acs.jmedchem.5b01429 BindingDB Entry DOI: 10.7270/Q2CN75R5
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50088574 (CHEMBL3577218) Show SMILES [H][C@]12C[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(C)=O)[C@H](C[C@@H](C)[C@@]3(OC1(C)C)[C@@H]2ON1C(=O)CCC1=O)OC(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H39NO10/c1-20-18-25(43-31(40)22-12-8-6-9-13-22)30(42-21(2)37)34(5)26(44-32(41)23-14-10-7-11-15-23)19-24-29(35(20,34)46-33(24,3)4)45-36-27(38)16-17-28(36)39/h6-15,20,24-26,29-30H,16-19H2,1-5H3/t20-,24-,25+,26+,29-,30+,34-,35-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez Curated by ChEMBL					Assay Description Inhibition of human MDR1 transfected in mouse NIH/3T3 MDR1-G185 cells assessed as reduction in daunomycin accumulation after 30 mins by flow cytometr...				J Nat Prod 78: 736-45 (2015) Article DOI: 10.1021/np500903a BindingDB Entry DOI: 10.7270/Q2VX0J7F
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50153719 (CHEMBL499498) Show SMILES [H][C@@]12[C@@H](OC(C)=O)[C@]3(OC1(C)C)[C@@](C)(O)CC[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C35H40O10/c1-21(36)41-25-19-20-33(5,40)35-29(42-22(2)37)27(32(3,4)45-35)28(43-26(38)18-17-23-13-9-7-10-14-23)30(34(25,35)6)44-31(39)24-15-11-8-12-16-24/h7-18,25,27-30,40H,19-20H2,1-6H3/b18-17+/t25-,27+,28-,29+,30-,33-,34-,35-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica"Antonio Gonz£lez" Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH/3T3 cells assessed as inhibition of daunomycin efflux incubated for 30 mins by flow cytometry				J Med Chem 59: 1880-90 (2016) Article DOI: 10.1021/acs.jmedchem.5b01429 BindingDB Entry DOI: 10.7270/Q2CN75R5
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50154916 (CHEMBL3775786) Show SMILES [H][C@@]12[C@@H](OC(C)=O)[C@]3(OC1(C)C)[C@](C)(CC[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)\C=C\c1ccccc1)OC(=O)CN1CCOCC1 |r| Show InChI InChI=1S/C41H49NO12/c1-26(43)49-30-19-20-39(5,53-32(46)25-42-21-23-48-24-22-42)41-35(50-27(2)44)33(38(3,4)54-41)34(51-31(45)18-17-28-13-9-7-10-14-28)36(40(30,41)6)52-37(47)29-15-11-8-12-16-29/h7-18,30,33-36H,19-25H2,1-6H3/b18-17+/t30-,33+,34-,35+,36-,39-,40-,41-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica"Antonio Gonz£lez" Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH/3T3 cells assessed as inhibition of daunomycin efflux incubated for 30 mins by flow cytometry				J Med Chem 59: 1880-90 (2016) Article DOI: 10.1021/acs.jmedchem.5b01429 BindingDB Entry DOI: 10.7270/Q2CN75R5
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50153721 (CHEMBL3775788) Show SMILES [H][C@@]12[C@@H](OC(=O)CBr)[C@]3(OC1(C)C)[C@@](C)(O)CC[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C35H39BrO10/c1-21(37)42-24-18-19-33(4,41)35-29(44-26(39)20-36)27(32(2,3)46-35)28(43-25(38)17-16-22-12-8-6-9-13-22)30(34(24,35)5)45-31(40)23-14-10-7-11-15-23/h6-17,24,27-30,41H,18-20H2,1-5H3/b17-16+/t24-,27+,28-,29+,30-,33-,34-,35-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica"Antonio Gonz£lez" Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH/3T3 cells assessed as inhibition of daunomycin efflux incubated for 30 mins by flow cytometry				J Med Chem 59: 1880-90 (2016) Article DOI: 10.1021/acs.jmedchem.5b01429 BindingDB Entry DOI: 10.7270/Q2CN75R5
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50153723 (CHEMBL3775488) Show SMILES [H][C@@]12[C@@H](OC(=O)CCC)[C@]3(OC1(C)C)[C@@](C)(O)CC[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C37H44O10/c1-7-14-27(39)45-31-29-30(44-28(40)20-19-24-15-10-8-11-16-24)32(46-33(41)25-17-12-9-13-18-25)36(6)26(43-23(2)38)21-22-35(5,42)37(31,36)47-34(29,3)4/h8-13,15-20,26,29-32,42H,7,14,21-22H2,1-6H3/b20-19+/t26-,29+,30-,31+,32-,35-,36-,37-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica"Antonio Gonz£lez" Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH/3T3 cells assessed as inhibition of daunomycin efflux incubated for 30 mins by flow cytometry				J Med Chem 59: 1880-90 (2016) Article DOI: 10.1021/acs.jmedchem.5b01429 BindingDB Entry DOI: 10.7270/Q2CN75R5
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50353597 (CHEMBL1829396) Show SMILES CC(=O)OC[C@]12[C@H](C[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O)OC(=O)c1ccoc1 |r,THB:10:9:5.7.6:20.21| Show InChI InChI=1S/C38H40O13/c1-22(39)46-21-37-29(49-34(43)26-16-17-45-20-26)18-27-30(50-33(42)25-14-10-7-11-15-25)38(37,51-35(27,3)4)36(5,44)19-28(31(37)47-23(2)40)48-32(41)24-12-8-6-9-13-24/h6-17,20,27-31,44H,18-19,21H2,1-5H3/t27-,28+,29+,30-,31+,36+,37-,38+/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH-3T3 cells assessed as daunomycin efflux after 30 mins by flow cytometry				Eur J Med Chem 46: 4915-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.048 BindingDB Entry DOI: 10.7270/Q2N29XB8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50533721 (CHEMBL4459868) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21N(C)c2cccc(OC)c2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C24H32N2O5/c1-6-15-13-26-11-10-24(20(26)12-16(15)17(14-29-3)23(28)31-5)22(27)21-18(25(24)2)8-7-9-19(21)30-4/h7-9,14-16,20H,6,10-13H2,1-5H3/b17-14+/t15-,16+,20+,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	375	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse mu opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748 BindingDB Entry DOI: 10.7270/Q27H1P2H
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50353602 (CHEMBL1829522) Show SMILES CC(=O)O[C@H]1[C@H](C[C@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccoc4)[C@]12C)[C@H]3OC(=O)c1ccccc1)OC(=O)c1ccccc1 |r,TLB:29:28:26.16.17:11.12| Show InChI InChI=1S/C36H38O11/c1-21(37)43-29-26(44-30(38)22-12-8-6-9-13-22)19-34(4,41)36-28(46-31(39)23-14-10-7-11-15-23)25(33(2,3)47-36)18-27(35(29,36)5)45-32(40)24-16-17-42-20-24/h6-17,20,25-29,41H,18-19H2,1-5H3/t25-,26+,27+,28-,29+,34+,35-,36+/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH-3T3 cells assessed as daunomycin efflux after 30 mins by flow cytometry				Eur J Med Chem 46: 4915-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.048 BindingDB Entry DOI: 10.7270/Q2N29XB8
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50353600 (CHEMBL1829520) Show SMILES CC(=O)OC[C@]12[C@H](C[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O)OC(=O)c1ccccc1 |r,THB:10:9:5.7.6:20.21| Show InChI InChI=1S/C35H40O12/c1-20(36)42-19-34-27(45-30(39)23-13-9-7-10-14-23)17-25-28(46-31(40)24-15-11-8-12-16-24)35(34,47-32(25,4)5)33(6,41)18-26(43-21(2)37)29(34)44-22(3)38/h7-16,25-29,41H,17-19H2,1-6H3/t25-,26+,27+,28-,29+,33+,34-,35+/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH-3T3 cells assessed as daunomycin efflux after 30 mins by flow cytometry				Eur J Med Chem 46: 4915-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.048 BindingDB Entry DOI: 10.7270/Q2N29XB8
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50154912 (CHEMBL3774875) Show SMILES [H][C@@]12[C@@H](O)[C@]3(OC1(C)C)[C@H](C)CC[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)CCc1ccccc1 |r| Show InChI InChI=1S/C33H40O8/c1-20-16-18-24(38-21(2)34)32(5)29(40-30(37)23-14-10-7-11-15-23)27(26-28(36)33(20,32)41-31(26,3)4)39-25(35)19-17-22-12-8-6-9-13-22/h6-15,20,24,26-29,36H,16-19H2,1-5H3/t20-,24+,26-,27+,28-,29+,32+,33-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica"Antonio Gonz£lez" Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH/3T3 cells assessed as inhibition of daunomycin efflux incubated for 30 mins by flow cytometry				J Med Chem 59: 1880-90 (2016) Article DOI: 10.1021/acs.jmedchem.5b01429 BindingDB Entry DOI: 10.7270/Q2CN75R5
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50153724 (CHEMBL3774484) Show SMILES [H][C@@]12[C@@H](OC(=O)C(C)CC)[C@]3(OC1(C)C)[C@@](C)(O)CC[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C38H46O10/c1-8-23(2)33(41)46-31-29-30(45-28(40)20-19-25-15-11-9-12-16-25)32(47-34(42)26-17-13-10-14-18-26)37(7)27(44-24(3)39)21-22-36(6,43)38(31,37)48-35(29,4)5/h9-20,23,27,29-32,43H,8,21-22H2,1-7H3/b20-19+/t23?,27-,29+,30-,31+,32-,36-,37-,38-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica"Antonio Gonz£lez" Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH/3T3 cells assessed as inhibition of daunomycin efflux incubated for 30 mins by flow cytometry				J Med Chem 59: 1880-90 (2016) Article DOI: 10.1021/acs.jmedchem.5b01429 BindingDB Entry DOI: 10.7270/Q2CN75R5
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50153734 (CHEMBL3775696) Show SMILES [H][C@@]12[C@@H](OC(=O)c3cnccn3)[C@]3(OC1(C)C)[C@@](C)(O)CC[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)\C=C/c1ccccc1 |r| Show InChI InChI=1S/C38H40N2O10/c1-23(41)46-27-18-19-36(4,45)38-31(48-34(44)26-22-39-20-21-40-26)29(35(2,3)50-38)30(47-28(42)17-16-24-12-8-6-9-13-24)32(37(27,38)5)49-33(43)25-14-10-7-11-15-25/h6-17,20-22,27,29-32,45H,18-19H2,1-5H3/b17-16-/t27-,29+,30-,31+,32-,36-,37-,38-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica"Antonio Gonz£lez" Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH/3T3 cells assessed as inhibition of daunomycin efflux incubated for 30 mins by flow cytometry				J Med Chem 59: 1880-90 (2016) Article DOI: 10.1021/acs.jmedchem.5b01429 BindingDB Entry DOI: 10.7270/Q2CN75R5
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50275947 ((5S,14R,19S,28R)-10,23-dimethoxy-4,4,29,29-tetrame...) Show SMILES COc1ccc2[C@H]3[C@@H](COc2c1)C(C)(C)OC1=C3C(=O)C(=O)C2=C1OC(C)(C)[C@H]1COc3cc(OC)ccc3[C@@H]21 |r,c:18,25| Show InChI InChI=1S/C32H32O8/c1-31(2)19-13-37-21-11-15(35-5)7-9-17(21)23(19)25-27(33)28(34)26-24-18-10-8-16(36-6)12-22(18)38-14-20(24)32(3,4)40-30(26)29(25)39-31/h7-12,19-20,23-24H,13-14H2,1-6H3/t19-,20+,23+,24-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Orgánica Antonio González Curated by ChEMBL					Assay Description Inhibition of human MDR1 overexpressed in mouse NIH/3T3 cells assessed as daunorubicin accumulation by flow cytometry				J Med Chem 51: 7132-43 (2009) Article DOI: 10.1021/jm800403b BindingDB Entry DOI: 10.7270/Q2TB16R7
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50088576 (CHEMBL3577215) Show SMILES [H][C@@]12[C@@H](O)[C@]3(OC1(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C35H40O11/c1-20(36)42-24-19-33(5,41)35-28(39)26(32(3,4)46-35)27(44-25(38)18-17-22-13-9-7-10-14-22)30(34(35,6)29(24)43-21(2)37)45-31(40)23-15-11-8-12-16-23/h7-18,24,26-30,39,41H,19H2,1-6H3/b18-17+/t24-,26+,27-,28+,29-,30-,33-,34-,35-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez Curated by ChEMBL					Assay Description Inhibition of human MDR1 transfected in mouse NIH/3T3 MDR1-G185 cells assessed as reduction in daunomycin accumulation after 30 mins by flow cytometr...				J Nat Prod 78: 736-45 (2015) Article DOI: 10.1021/np500903a BindingDB Entry DOI: 10.7270/Q2VX0J7F
					More data for this Ligand-Target Pair

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