Compile Data Set for Download or QSAR

Found 10428 hits of ic50 data for polymerid = 2127,3138   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50450653 (CHEMBL2115493) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(CCCC[C@@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C33H45N5O8/c1-20(2)16-26(31(44)45)37-30(43)25(18-21-8-4-3-5-9-21)36-28(41)19-35-32(46)33(15-7-6-10-27(33)40)38-29(42)24(34)17-22-11-13-23(39)14-12-22/h3-5,8-9,11-14,20,24-27,39-40H,6-7,10,15-19,34H2,1-2H3,(H,35,46)(H,36,41)(H,37,43)(H,38,42)(H,44,45)/t24-,25-,26-,27+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Bioorganic Research Curated by ChEMBL					Assay Description Inhibitory activity against forskolin-stimulated cAMP production in chinese hamster ovary cells expressing Opioid receptor delta 1				Bioorg Med Chem Lett 8: 2027-32 (1999) BindingDB Entry DOI: 10.7270/Q25T3KZ5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50450653 (CHEMBL2115493) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(CCCC[C@@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C33H45N5O8/c1-20(2)16-26(31(44)45)37-30(43)25(18-21-8-4-3-5-9-21)36-28(41)19-35-32(46)33(15-7-6-10-27(33)40)38-29(42)24(34)17-22-11-13-23(39)14-12-22/h3-5,8-9,11-14,20,24-27,39-40H,6-7,10,15-19,34H2,1-2H3,(H,35,46)(H,36,41)(H,37,43)(H,38,42)(H,44,45)/t24-,25-,26-,27+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Bioorganic Research Curated by ChEMBL					Assay Description Inhibitory activity against forskolin-stimulated cAMP production in chinese hamster ovary cells expressing Opioid receptor delta 1				Bioorg Med Chem Lett 8: 2027-32 (1999) BindingDB Entry DOI: 10.7270/Q25T3KZ5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50450656 (CHEMBL2114469) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(CCC[C@@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C32H43N5O8/c1-19(2)15-25(30(43)44)36-29(42)24(17-20-7-4-3-5-8-20)35-27(40)18-34-31(45)32(14-6-9-26(32)39)37-28(41)23(33)16-21-10-12-22(38)13-11-21/h3-5,7-8,10-13,19,23-26,38-39H,6,9,14-18,33H2,1-2H3,(H,34,45)(H,35,40)(H,36,42)(H,37,41)(H,43,44)/t23-,24-,25-,26+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Bioorganic Research Curated by ChEMBL					Assay Description Inhibitory activity against forskolin-stimulated cAMP production in chinese hamster ovary cells expressing Opioid receptor delta 1				Bioorg Med Chem Lett 8: 2027-32 (1999) BindingDB Entry DOI: 10.7270/Q25T3KZ5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50228042 (CHEMBL323548) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@H](CS)C(N)=O Show InChI InChI=1S/C26H33N7O8S2/c27-18(9-14-3-7-17(34)8-4-14)24(37)32-21(13-43)25(38)29-11-22(35)30-19(26(39)31-20(12-42)23(28)36)10-15-1-5-16(6-2-15)33(40)41/h1-8,18-21,34,42-43H,9-13,27H2,(H2,28,36)(H,29,38)(H,30,35)(H,31,39)(H,32,37)/t18-,19-,20+,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	0.0187	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline and French Laboratories Curated by ChEMBL					Assay Description The compound was tested for the ability to displace delta-receptor specific radioligand [3H]DPDPE				J Med Chem 32: 302-4 (1989) BindingDB Entry DOI: 10.7270/Q2SX6DT2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50450656 (CHEMBL2114469) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(CCC[C@@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C32H43N5O8/c1-19(2)15-25(30(43)44)36-29(42)24(17-20-7-4-3-5-8-20)35-27(40)18-34-31(45)32(14-6-9-26(32)39)37-28(41)23(33)16-21-10-12-22(38)13-11-21/h3-5,7-8,10-13,19,23-26,38-39H,6,9,14-18,33H2,1-2H3,(H,34,45)(H,35,40)(H,36,42)(H,37,41)(H,43,44)/t23-,24-,25-,26+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Bioorganic Research Curated by ChEMBL					Assay Description Binding affinity against rat Opioid receptor delta 1 expressed in CHO cells determined by competitive inhibition of 1 nM [3H]DPDPE.				Bioorg Med Chem Lett 8: 2027-32 (1999) BindingDB Entry DOI: 10.7270/Q25T3KZ5
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM144637 (US8952036, Ex. 5) Show SMILES COc1cc(NC(=O)C[C@@]2(C)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)c2ccc(Cl)cc2)c2cccc(Cl)c2)ccc1C(O)=O |r| Show InChI InChI=1S/C37H42Cl2N2O7S/c1-36(2,3)49(46,47)21-30(22-9-10-22)41-33(23-11-13-25(38)14-12-23)29(24-7-6-8-26(39)17-24)19-37(4,35(41)45)20-32(42)40-27-15-16-28(34(43)44)31(18-27)48-5/h6-8,11-18,22,29-30,33H,9-10,19-21H2,1-5H3,(H,40,42)(H,43,44)/t29-,30-,33-,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0503	n/a	n/a	n/a	n/a	7.4	25
Amgen Inc. US Patent					Assay Description The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...				US Patent US8952036 (2015) BindingDB Entry DOI: 10.7270/Q27P8X4P
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50071201 ((R)-2-[(R)-2-(2-{(R)-2-[(R)-2-Amino-3-(4-hydroxy-p...) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@](C)(CO)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C30H41N5O8/c1-18(2)13-24(28(41)42)34-27(40)23(15-19-7-5-4-6-8-19)33-25(38)16-32-29(43)30(3,17-36)35-26(39)22(31)14-20-9-11-21(37)12-10-20/h4-12,18,22-24,36-37H,13-17,31H2,1-3H3,(H,32,43)(H,33,38)(H,34,40)(H,35,39)(H,41,42)/t22-,23-,24-,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0710	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Bioorganic Research Curated by ChEMBL					Assay Description Inhibitory activity against forskolin-stimulated cAMP production in chinese hamster ovary cells expressing Opioid receptor delta 1				Bioorg Med Chem Lett 8: 2027-32 (1999) BindingDB Entry DOI: 10.7270/Q25T3KZ5
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50448963 (CHEMBL3125537 | US9296736, 351 | US9593129, Exampl...) Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H35Cl2NO5S/c1-28(2,3)38(36,37)17-24(18-8-9-18)32-26(19-10-12-21(30)13-11-19)23(20-6-5-7-22(31)14-20)15-29(4,27(32)35)16-25(33)34/h5-7,10-14,18,23-24,26H,8-9,15-17H2,1-4H3,(H,33,34)/t23-,24-,26-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0962	n/a	n/a	n/a	n/a	7.4	25
Amgen Inc. US Patent					Assay Description The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...				US Patent US8952036 (2015) BindingDB Entry DOI: 10.7270/Q27P8X4P
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50337733 (CHEMBL1683444 | N-((2S,4S)-1-(4-(2,4-dichlorobenzy...) Show SMILES C[C@@H](C[C@@H](CS(=O)(=O)N1CCC(CC1)OCc1ccc(Cl)cc1Cl)N(O)C=O)c1ncc(F)cn1 |r| Show InChI InChI=1S/C22H27Cl2FN4O5S/c1-15(22-26-10-18(25)11-27-22)8-19(29(31)14-30)13-35(32,33)28-6-4-20(5-7-28)34-12-16-2-3-17(23)9-21(16)24/h2-3,9-11,14-15,19-20,31H,4-8,12-13H2,1H3/t15-,19-/m0/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	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 21: 1376-81 (2011) Article DOI: 10.1016/j.bmcl.2011.01.036 BindingDB Entry DOI: 10.7270/Q2DV1K5M
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM144636 (US8952036, Ex. 4) Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C29H34Cl2FNO5S/c1-28(2,3)39(37,38)16-24(17-8-9-17)33-26(19-10-11-22(31)23(32)13-19)21(18-6-5-7-20(30)12-18)14-29(4,27(33)36)15-25(34)35/h5-7,10-13,17,21,24,26H,8-9,14-16H2,1-4H3,(H,34,35)/t21-,24-,26-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.102	n/a	n/a	n/a	n/a	7.4	25
Amgen Inc. US Patent					Assay Description The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...				US Patent US8952036 (2015) BindingDB Entry DOI: 10.7270/Q27P8X4P
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Eur J Med Chem 101: 627-39 (2015) Article DOI: 10.1016/j.ejmech.2015.06.029 BindingDB Entry DOI: 10.7270/Q2QF8VPZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50061291 ((S)-2-{[(4R,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...) Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C39H47BrN6O8S2/c1-38(2)31(45-33(49)27(41)18-23-12-16-26(47)17-13-23)35(51)42-21-30(48)43-28(19-24-10-14-25(40)15-11-24)34(50)46-32(39(3,4)56-55-38)36(52)44-29(37(53)54)20-22-8-6-5-7-9-22/h5-17,27-29,31-32,47H,18-21,41H2,1-4H3,(H,42,51)(H,43,48)(H,44,52)(H,45,49)(H,46,50)(H,53,54)/t27-,28-,29-,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of binding of radioligand [3H][p-Cl-phe]-DPDPE to Opioid receptor delta 1 in rat brain				J Med Chem 40: 3957-62 (1998) Article DOI: 10.1021/jm9704762 BindingDB Entry DOI: 10.7270/Q23R0TJ7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50330011 (1-((3R,5R)-4-(4-chlorophenylsulfonyl)-5-isopropylm...) Show SMILES CC(C)[C@@H]1COC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCNCC1 |r| Show InChI InChI=1S/C21H30ClN3O5S/c1-15(2)18-13-29-14-19(25(18)31(27,28)17-5-3-16(22)4-6-17)21(7-8-21)30-20(26)24-11-9-23-10-12-24/h3-6,15,18-19,23H,7-14H2,1-2H3/t18-,19+/m0/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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Lab. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 after 30 mins				Bioorg Med Chem Lett 20: 6606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.09.028 BindingDB Entry DOI: 10.7270/Q2RF5V79
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50039026 (4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1 Show InChI InChI=1S/C27H37N3O2/c1-6-16-29-18-21(5)30(19-20(29)4)26(24-10-9-11-25(31)17-24)22-12-14-23(15-13-22)27(32)28(7-2)8-3/h6,9-15,17,20-21,26,31H,1,7-8,16,18-19H2,2-5H3/t20-,21+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Binding affinity was measured against Opioid receptor delta 1 using [3H]-p-Cl-DPDPE as radioligand.				J Med Chem 41: 4767-76 (1998) Article DOI: 10.1021/jm980374r BindingDB Entry DOI: 10.7270/Q2DZ07FQ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM144638 (US8952036, Ex. 3) Show SMILES COc1cc(NC(=O)C[C@@]2(C)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)c2ccc(Cl)c(F)c2)c2cccc(Cl)c2)ccc1C(O)=O |r| Show InChI InChI=1S/C37H41Cl2FN2O7S/c1-36(2,3)50(47,48)20-30(21-9-10-21)42-33(23-11-14-28(39)29(40)16-23)27(22-7-6-8-24(38)15-22)18-37(4,35(42)46)19-32(43)41-25-12-13-26(34(44)45)31(17-25)49-5/h6-8,11-17,21,27,30,33H,9-10,18-20H2,1-5H3,(H,41,43)(H,44,45)/t27-,30-,33-,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	7.4	25
Amgen Inc. US Patent					Assay Description The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...				US Patent US8952036 (2015) BindingDB Entry DOI: 10.7270/Q27P8X4P
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50037079 (CHEMBL3355781) Show SMILES [H][C@]12CC[C@@]([H])(CC1)NC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C2)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(N)=O |r,wU:43.47,38.43,27.29,16.17,1.0,wD:12.59,4.4,(9.15,-12.58,;10.78,-11.64,;10.78,-13.18,;12.1,-13.95,;13.44,-13.19,;12.5,-14.82,;13.44,-11.65,;12.11,-10.87,;13.46,-16.37,;14.64,-15.44,;15.96,-16.24,;14.68,-13.9,;16.03,-13.16,;16.06,-11.62,;17.41,-10.88,;18.73,-11.68,;17.45,-9.33,;18.8,-8.58,;20.12,-9.37,;20.09,-10.91,;21.42,-11.7,;22.76,-10.95,;22.78,-9.4,;21.46,-8.62,;16.12,-8.56,;14.78,-9.33,;14.78,-10.87,;13.45,-8.56,;13.45,-7.02,;14.78,-6.25,;16.12,-7.03,;17.46,-6.25,;17.46,-4.71,;16.12,-3.94,;14.78,-4.71,;12.12,-9.33,;10.78,-8.56,;10.78,-7.02,;9.45,-9.33,;9.45,-10.87,;8.12,-8.56,;6.78,-9.33,;6.78,-10.87,;5.45,-8.56,;4.11,-9.33,;5.45,-7.02,;4.11,-6.25,;2.79,-7.03,;2.8,-8.57,;1.46,-6.26,;1.45,-4.71,;.12,-3.95,;2.79,-3.94,;4.12,-4.71,;5.46,-3.95,;17.34,-13.96,;17.31,-15.5,;18.7,-13.22,)| Show InChI InChI=1S/C42H53N7O7/c1-24-17-30(50)18-25(2)31(24)22-32(43)39(53)47-34-21-28-13-15-29(16-14-28)45-37(51)23-33(38(44)52)46-40(54)35(19-26-9-5-3-6-10-26)48-42(56)36(49-41(34)55)20-27-11-7-4-8-12-27/h3-12,17-18,28-29,32-36,50H,13-16,19-23,43H2,1-2H3,(H2,44,52)(H,45,51)(H,46,54)(H,47,53)(H,48,56)(H,49,55)/t28-,29?,32-,33-,34+,35-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H][Ile5,6]deltorphin-2 from DOR in Wistar rat brain membranes by liquid scintillation counting method				Bioorg Med Chem 22: 6545-51 (2015) Article DOI: 10.1016/j.bmc.2014.10.022 BindingDB Entry DOI: 10.7270/Q2HT2QZJ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM143355 (US9682953, 20.A-1) Show SMILES CCOC(=O)Cn1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C Show InChI InChI=1S/C25H22F3N3O2/c26-25(27,28)20-8-11-23(30-16-20)33-22-5-1-3-18(14-22)13-17-6-9-21(10-7-17)31-24(32)19-4-2-12-29-15-19/h1-5,8,11-16,21H,6-7,9-10H2,(H,31,32)/b17-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 5 mins followed by NADPH cofactor addition and measur...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50071201 ((R)-2-[(R)-2-(2-{(R)-2-[(R)-2-Amino-3-(4-hydroxy-p...) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@](C)(CO)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C30H41N5O8/c1-18(2)13-24(28(41)42)34-27(40)23(15-19-7-5-4-6-8-19)33-25(38)16-32-29(43)30(3,17-36)35-26(39)22(31)14-20-9-11-21(37)12-10-20/h4-12,18,22-24,36-37H,13-17,31H2,1-3H3,(H,32,43)(H,33,38)(H,34,40)(H,35,39)(H,41,42)/t22-,23-,24-,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Bioorganic Research Curated by ChEMBL					Assay Description Binding affinity against rat Opioid receptor delta 1 expressed in CHO cells determined by competitive inhibition of 1 nM [3H]DPDPE.				Bioorg Med Chem Lett 8: 2027-32 (1999) BindingDB Entry DOI: 10.7270/Q25T3KZ5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50061292 ((S)-2-{[(4R,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...) Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C39H47ClN6O8S2/c1-38(2)31(45-33(49)27(41)18-23-12-16-26(47)17-13-23)35(51)42-21-30(48)43-28(19-24-10-14-25(40)15-11-24)34(50)46-32(39(3,4)56-55-38)36(52)44-29(37(53)54)20-22-8-6-5-7-9-22/h5-17,27-29,31-32,47H,18-21,41H2,1-4H3,(H,42,51)(H,43,48)(H,44,52)(H,45,49)(H,46,50)(H,53,54)/t27-,28-,29-,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of binding of radioligand [3H][p-Cl-phe]-DPDPE to Opioid receptor delta 1 in rat brain				J Med Chem 40: 3957-62 (1998) Article DOI: 10.1021/jm9704762 BindingDB Entry DOI: 10.7270/Q23R0TJ7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50252094 ((S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(O)CC1 |r| Show InChI InChI=1S/C26H28ClN5O3/c1-15-11-18(32-9-6-19(33)7-10-32)13-21-24(15)31-25(30-21)23-20(5-8-28-26(23)35)29-14-22(34)16-3-2-4-17(27)12-16/h2-5,8,11-13,19,22,33-34H,6-7,9-10,14H2,1H3,(H,30,31)(H2,28,29,35)/t22-/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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 18: 4075-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.104 BindingDB Entry DOI: 10.7270/Q2V40V03
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50061295 ((S)-2-{[(4R,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...) Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C39H47FN6O8S2/c1-38(2)31(45-33(49)27(41)18-23-12-16-26(47)17-13-23)35(51)42-21-30(48)43-28(19-24-10-14-25(40)15-11-24)34(50)46-32(39(3,4)56-55-38)36(52)44-29(37(53)54)20-22-8-6-5-7-9-22/h5-17,27-29,31-32,47H,18-21,41H2,1-4H3,(H,42,51)(H,43,48)(H,44,52)(H,45,49)(H,46,50)(H,53,54)/t27-,28-,29-,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of binding of radioligand [3H][p-Cl-phe]-DPDPE to Opioid receptor delta 1 in rat brain				J Med Chem 40: 3957-62 (1998) Article DOI: 10.1021/jm9704762 BindingDB Entry DOI: 10.7270/Q23R0TJ7
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50061293 ((S)-2-{[(4R,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...) Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C39H47IN6O8S2/c1-38(2)31(45-33(49)27(41)18-23-12-16-26(47)17-13-23)35(51)42-21-30(48)43-28(19-24-10-14-25(40)15-11-24)34(50)46-32(39(3,4)56-55-38)36(52)44-29(37(53)54)20-22-8-6-5-7-9-22/h5-17,27-29,31-32,47H,18-21,41H2,1-4H3,(H,42,51)(H,43,48)(H,44,52)(H,45,49)(H,46,50)(H,53,54)/t27-,28-,29-,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of binding of radioligand [3H][p-Cl-phe]-DPDPE to Opioid receptor delta 1 in rat brain				J Med Chem 40: 3957-62 (1998) Article DOI: 10.1021/jm9704762 BindingDB Entry DOI: 10.7270/Q23R0TJ7
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50009180 (3-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-pro...) Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C44H62N10O10S2/c1-25(2)18-34(42(62)50-32(15-17-66-4)40(60)51-33(38(46)58)22-37(56)57)52-44(64)36(21-28-23-47-24-48-28)54-43(63)35(20-26-8-6-5-7-9-26)53-41(61)31(14-16-65-3)49-39(59)30(45)19-27-10-12-29(55)13-11-27/h5-13,23-25,30-36,55H,14-22,45H2,1-4H3,(H2,46,58)(H,47,48)(H,49,59)(H,50,62)(H,51,60)(H,52,64)(H,53,61)(H,54,63)(H,56,57)/t30-,31-,32-,33-,34-,35-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of [3H]-[p-Cl-Phe-]DPDE binding to rat brain homogenate delta-opioid receptor				J Med Chem 37: 141-5 (1994) BindingDB Entry DOI: 10.7270/Q2F47N7P
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM27879 (4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 18: 4075-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.104 BindingDB Entry DOI: 10.7270/Q2V40V03
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50330016 (((3R,5R)-4-(4-chlorophenylsulfonyl)-5-(1-methylcyc...) Show SMILES CC(C)(CO)N1CCN(CC1)C(=O)OC[C@H]1COC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(C)CC1 |r| Show InChI InChI=1S/C24H36ClN3O6S/c1-23(2,17-29)27-12-10-26(11-13-27)22(30)34-15-19-14-33-16-21(24(3)8-9-24)28(19)35(31,32)20-6-4-18(25)5-7-20/h4-7,19,21,29H,8-17H2,1-3H3/t19-,21+/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Lab. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 after 30 mins				Bioorg Med Chem Lett 20: 6606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.09.028 BindingDB Entry DOI: 10.7270/Q2RF5V79
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50252295 (3-(6-(4-((1R,4S)-5-oxa-2-aza-bicyclo[2.2.1]heptan-...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)N1C[C@@H]2C[C@@H]1CO2 |r,THB:31:34:39.40:37| Show InChI InChI=1S/C31H35ClN6O3/c1-18-11-22(37-9-6-21(7-10-37)38-16-24-13-23(38)17-41-24)14-26-29(18)36-30(35-26)28-25(5-8-33-31(28)40)34-15-27(39)19-3-2-4-20(32)12-19/h2-5,8,11-12,14,21,23-24,27,39H,6-7,9-10,13,15-17H2,1H3,(H,35,36)(H2,33,34,40)/t23-,24+,27-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 18: 4075-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.104 BindingDB Entry DOI: 10.7270/Q2V40V03
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50252237 ((S)-methyl 1-(2-(4-(2-(3-chlorophenyl)-2-hydroxyet...) Show SMILES COC(=O)NC1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r| Show InChI InChI=1S/C28H31ClN6O4/c1-16-12-20(35-10-7-19(8-11-35)32-28(38)39-2)14-22-25(16)34-26(33-22)24-21(6-9-30-27(24)37)31-15-23(36)17-4-3-5-18(29)13-17/h3-6,9,12-14,19,23,36H,7-8,10-11,15H2,1-2H3,(H,32,38)(H,33,34)(H2,30,31,37)/t23-/m1/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 18: 4075-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.104 BindingDB Entry DOI: 10.7270/Q2V40V03
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50330006 (1-((3R,5R)-4-(4-chlorophenylsulfonyl)-5-isopropylm...) Show SMILES CC(C)[C@@H]1COC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CC2CCC(C1)N2 |r,TLB:23:25:32:28.29| Show InChI InChI=1S/C23H32ClN3O5S/c1-15(2)20-13-31-14-21(27(20)33(29,30)19-7-3-16(24)4-8-19)23(9-10-23)32-22(28)26-11-17-5-6-18(12-26)25-17/h3-4,7-8,15,17-18,20-21,25H,5-6,9-14H2,1-2H3/t17?,18?,20-,21+/m0/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Lab. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 after 30 mins				Bioorg Med Chem Lett 20: 6606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.09.028 BindingDB Entry DOI: 10.7270/Q2RF5V79
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50043720 ((S)-2-{[(4R,7S)-13-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C37H43ClN6O8S2/c1-37(2)31(44-32(47)26(39)16-22-10-14-25(45)15-11-22)35(50)40-19-30(46)41-27(17-23-8-12-24(38)13-9-23)33(48)43-29(20-53-54-37)34(49)42-28(36(51)52)18-21-6-4-3-5-7-21/h3-15,26-29,31,45H,16-20,39H2,1-2H3,(H,40,50)(H,41,46)(H,42,49)(H,43,48)(H,44,47)(H,51,52)/t26-,27-,28-,29-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity towards delta opioid receptor was determined in rat brain using [H]-[p-Cl-Phe4]-DPDPE as radioligand				J Med Chem 37: 146-50 (1994) BindingDB Entry DOI: 10.7270/Q2TX3G09
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50001468 ((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Agonist activity for Opioid receptor delta 1				J Med Chem 40: 3100-8 (1997) Article DOI: 10.1021/jm9607663 BindingDB Entry DOI: 10.7270/Q2TD9Z1N
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50001468 ((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lodz Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from delta opioid receptor in rat brain membranes				Bioorg Med Chem Lett 18: 1350-3 (2008) Article DOI: 10.1016/j.bmcl.2008.01.009 BindingDB Entry DOI: 10.7270/Q2QR4WWN
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50001468 ((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against delta receptor with [3H]-[p-Cl-Phe4]-DPDPE				Bioorg Med Chem Lett 2: 547-552 (1992) Article DOI: 10.1016/S0960-894X(01)81195-1 BindingDB Entry DOI: 10.7270/Q23R0STD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50007329 ((R)-2-[(R)-2-(2-{2-[(R)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Bioorganic Research Curated by ChEMBL					Assay Description Binding affinity against rat Opioid receptor delta 1 expressed in CHO cells determined by competitive inhibition of 1 nM [3H]DPDPE.				Bioorg Med Chem Lett 8: 2027-32 (1999) BindingDB Entry DOI: 10.7270/Q25T3KZ5
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50001683 (13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...) Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Bioorganic Research Curated by ChEMBL					Assay Description Binding affinity against rat Opioid receptor delta 1 expressed in CHO cells determined by competitive inhibition of 1 nM [3H]DPDPE.				Bioorg Med Chem Lett 8: 2027-32 (1999) BindingDB Entry DOI: 10.7270/Q25T3KZ5
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50252193 (4-((S)-2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC2(CC1)OCCO2 |r| Show InChI InChI=1S/C28H30ClN5O4/c1-17-13-20(34-9-6-28(7-10-34)37-11-12-38-28)15-22-25(17)33-26(32-22)24-21(5-8-30-27(24)36)31-16-23(35)18-3-2-4-19(29)14-18/h2-5,8,13-15,23,35H,6-7,9-12,16H2,1H3,(H,32,33)(H2,30,31,36)/t23-/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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 18: 4075-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.104 BindingDB Entry DOI: 10.7270/Q2V40V03
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50252236 ((S)-N-(1-(2-(4-(2-(3-chlorophenyl)-2-hydroxyethyla...) Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)NC(=O)C1CC1 |r| Show InChI InChI=1S/C30H33ClN6O3/c1-17-13-22(37-11-8-21(9-12-37)34-29(39)18-5-6-18)15-24-27(17)36-28(35-24)26-23(7-10-32-30(26)40)33-16-25(38)19-3-2-4-20(31)14-19/h2-4,7,10,13-15,18,21,25,38H,5-6,8-9,11-12,16H2,1H3,(H,34,39)(H,35,36)(H2,32,33,40)/t25-/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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 18: 4075-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.104 BindingDB Entry DOI: 10.7270/Q2V40V03
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50043725 ((S)-2-{[(4R,7S)-13-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C37H43FN6O8S2/c1-37(2)31(44-32(47)26(39)16-22-10-14-25(45)15-11-22)35(50)40-19-30(46)41-27(17-23-8-12-24(38)13-9-23)33(48)43-29(20-53-54-37)34(49)42-28(36(51)52)18-21-6-4-3-5-7-21/h3-15,26-29,31,45H,16-20,39H2,1-2H3,(H,40,50)(H,41,46)(H,42,49)(H,43,48)(H,44,47)(H,51,52)/t26-,27-,28-,29-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity towards delta opioid receptor was determined in rat brain using [H]-[p-Cl-Phe4]-DPDPE as radioligand				J Med Chem 37: 146-50 (1994) BindingDB Entry DOI: 10.7270/Q2TX3G09
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50001468 ((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of [3H]-[p-Cl-Phe-]DPDE binding to rat brain homogenate delta-opioid receptor				J Med Chem 37: 141-5 (1994) BindingDB Entry DOI: 10.7270/Q2F47N7P
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50001468 ((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of [3H]-[p-Cl-Phe-]DPDE binding to rat brain homogenate delta-opioid receptor				J Med Chem 37: 141-5 (1994) BindingDB Entry DOI: 10.7270/Q2F47N7P
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50330017 (1-((3R,5R)-4-(4-chlorophenylsulfonyl)-5-(cycloprop...) Show SMILES Clc1ccc(cc1)S(=O)(=O)N1[C@H](CC2CC2)COC[C@@H]1C1(CC1)OC(=O)N1CC2CCC(C1)N2 |r,TLB:24:26:33:29.30| Show InChI InChI=1S/C24H32ClN3O5S/c25-17-3-7-21(8-4-17)34(30,31)28-20(11-16-1-2-16)14-32-15-22(28)24(9-10-24)33-23(29)27-12-18-5-6-19(13-27)26-18/h3-4,7-8,16,18-20,22,26H,1-2,5-6,9-15H2/t18?,19?,20-,22-/m1/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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Lab. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 after 30 mins				Bioorg Med Chem Lett 20: 6606-9 (2010) Article DOI: 10.1016/j.bmcl.2010.09.028 BindingDB Entry DOI: 10.7270/Q2RF5V79
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50252297 ((S)-3-(6-(4-(4-acetylpiperazin-1-yl)piperidin-1-yl...) Show SMILES CC(=O)N1CCN(CC1)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r| Show InChI InChI=1S/C32H38ClN7O3/c1-20-16-25(39-10-7-24(8-11-39)40-14-12-38(13-15-40)21(2)41)18-27-30(20)37-31(36-27)29-26(6-9-34-32(29)43)35-19-28(42)22-4-3-5-23(33)17-22/h3-6,9,16-18,24,28,42H,7-8,10-15,19H2,1-2H3,(H,36,37)(H2,34,35,43)/t28-/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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 18: 4075-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.104 BindingDB Entry DOI: 10.7270/Q2V40V03
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50280456 (CHEMBL153466 | {(4S,7R,10S,13R)-13-[(S)-2-Amino-3-...) Show SMILES CC(C)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(O)=O)C(=O)N1)C(=O)NCC(N)=O Show InChI InChI=1S/C35H46N8O10S2/c1-18(2)29(35(53)38-15-27(37)45)43-34(52)26-17-55-54-16-25(41-30(48)22(36)12-20-8-10-21(44)11-9-20)33(51)39-23(13-19-6-4-3-5-7-19)31(49)40-24(14-28(46)47)32(50)42-26/h3-11,18,22-26,29,44H,12-17,36H2,1-2H3,(H2,37,45)(H,38,53)(H,39,51)(H,40,49)(H,41,48)(H,42,50)(H,43,52)(H,46,47)/t22-,23-,24+,25-,26+,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against delta receptor with [3H]-[p-Cl-Phe4]-DPDPE				Bioorg Med Chem Lett 2: 547-552 (1992) Article DOI: 10.1016/S0960-894X(01)81195-1 BindingDB Entry DOI: 10.7270/Q23R0STD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50043717 (CHEMBL289006 | {(4S,7R,10S,13R)-13-[(S)-2-Amino-3-...) Show SMILES CC(C)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(O)=O)C(=O)N1)C(=O)NCC(N)=O Show InChI InChI=1S/C35H46N8O10S2/c1-18(2)29(35(53)38-15-27(37)45)43-34(52)26-17-55-54-16-25(41-30(48)22(36)12-20-8-10-21(44)11-9-20)33(51)39-23(13-19-6-4-3-5-7-19)31(49)40-24(14-28(46)47)32(50)42-26/h3-11,18,22-26,29,44H,12-17,36H2,1-2H3,(H2,37,45)(H,38,53)(H,39,51)(H,40,49)(H,41,48)(H,42,50)(H,43,52)(H,46,47)/t22-,23-,24+,25-,26+,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of [3H]-[p-Cl-Phe-]DPDE binding to rat brain homogenate delta-opioid receptor				J Med Chem 37: 141-5 (1994) BindingDB Entry DOI: 10.7270/Q2F47N7P
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50000806 (13-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propiony...) Show SMILES Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C Show InChI InChI=1S/C31H41N5O7S2/c1-17-13-20(37)12-11-19(17)15-21(32)26(39)35-24-28(41)33-16-23(38)34-22(14-18-9-7-6-8-10-18)27(40)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-13,21-22,24-25,37H,14-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t21-,22-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity in comparison with [3H]- DPDPE (opioid receptor delta selective ligand)				J Med Chem 35: 2384-91 (1992) BindingDB Entry DOI: 10.7270/Q2DF6Q4K
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50544198 (CHEMBL4636136) Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C24H26N6O3S2/c1-15(2)29-21-12-23(30-17-5-8-20-22(11-17)34-14-28-20)27-13-19(21)24(31)26-10-9-16-3-6-18(7-4-16)35(25,32)33/h3-8,11-15H,9-10H2,1-2H3,(H,26,31)(H2,25,32,33)(H2,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Biocon Bristol Myers Squibb Research Center Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				ACS Med Chem Lett 11: 1402-1409 (2020) Article DOI: 10.1021/acsmedchemlett.0c00082 BindingDB Entry DOI: 10.7270/Q2542S4M
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50252143 ((S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(...) Show SMILES COCCOC1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r| Show InChI InChI=1S/C29H34ClN5O4/c1-18-14-21(35-10-7-22(8-11-35)39-13-12-38-2)16-24-27(18)34-28(33-24)26-23(6-9-31-29(26)37)32-17-25(36)19-4-3-5-20(30)15-19/h3-6,9,14-16,22,25,36H,7-8,10-13,17H2,1-2H3,(H,33,34)(H2,31,32,37)/t25-/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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 18: 4075-80 (2008) Article DOI: 10.1016/j.bmcl.2008.05.104 BindingDB Entry DOI: 10.7270/Q2V40V03
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50056543 (4-[((1R,2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1ccccc1 Show InChI InChI=1S/C27H37N3O/c1-6-18-29-19-22(5)30(20-21(29)4)26(23-12-10-9-11-13-23)24-14-16-25(17-15-24)27(31)28(7-2)8-3/h6,9-17,21-22,26H,1,7-8,18-20H2,2-5H3/t21-,22+,26?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of radioligand [3H]DADLE binding to rat brain Opioid receptor delta 1				J Med Chem 40: 695-704 (1997) Article DOI: 10.1021/jm960319n BindingDB Entry DOI: 10.7270/Q2F190DS
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50393257 (CHEMBL2151735) Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r| Show InChI InChI=1S/C27H35N5O5/c1-15-9-20(33)10-16(2)21(15)12-22(28)26(36)31(4)17(3)25(35)30-23-11-18-7-5-6-8-19(18)13-32(27(23)37)14-24(29)34/h5-10,17,22-23,33H,11-14,28H2,1-4H3,(H2,29,34)(H,30,35)/t17-,22+,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin2 from DOR in rat brain homogenates by liquid scintillation counting				J Med Chem 54: 7848-59 (2011) Article DOI: 10.1021/jm200894e BindingDB Entry DOI: 10.7270/Q25X2B1T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM31772 (1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...) Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 Show InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01170 BindingDB Entry DOI: 10.7270/Q2DZ0D8J
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50586268 (CHEMBL5079148) Show SMILES CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1CC2CCC1CO2 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00089 BindingDB Entry DOI: 10.7270/Q2RJ4PCP
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 10428 total )  |  Next  |  Last  >>

Jump to: