Compile Data Set for Download or QSAR

Found 555 hits with Last Name = 'schmidt' and Initial = 'wk'   

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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50059585 (CHEMBL442323 | N-CPM[D-Pro-10]Dyn A-(1-11)) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCC1CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C67H109N21O13/c1-5-40(4)55(62(98)84-47(20-13-31-77-67(73)74)63(99)88-32-14-21-52(88)61(97)85-48(64(100)101)17-9-10-28-68)87-58(94)46(19-12-30-76-66(71)72)82-57(93)45(18-11-29-75-65(69)70)83-59(95)50(33-39(2)3)86-60(96)51(35-41-15-7-6-8-16-41)81-54(91)38-79-53(90)37-80-56(92)49(78-36-43-22-23-43)34-42-24-26-44(89)27-25-42/h6-8,15-16,24-27,39-40,43,45-52,55,78,89H,5,9-14,17-23,28-38,68H2,1-4H3,(H,79,90)(H,80,92)(H,81,91)(H,82,93)(H,83,95)(H,84,98)(H,85,97)(H,86,96)(H,87,94)(H,100,101)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t40-,45-,46-,47-,48-,49-,50-,51-,52-,55-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oregon State University Curated by ChEMBL					Assay Description Affinity against Opioid receptor kappa 1 was determined by measuring the inhibition of [3H]-bremazocine binding to guinea pig cerebellar membranes				J Med Chem 40: 2733-9 (1997) Article DOI: 10.1021/jm960747t BindingDB Entry DOI: 10.7270/Q2D50M2D
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50059583 (CHEMBL268818 | N-benzyl[D-Pro-10]Dyn A-(1-11) | Ph...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C70H109N21O13/c1-5-43(4)58(65(101)87-50(25-16-34-80-70(76)77)66(102)91-35-17-26-55(91)64(100)88-51(67(103)104)22-12-13-31-71)90-61(97)49(24-15-33-79-69(74)75)85-60(96)48(23-14-32-78-68(72)73)86-62(98)53(36-42(2)3)89-63(99)54(38-44-18-8-6-9-19-44)84-57(94)41-82-56(93)40-83-59(95)52(37-45-27-29-47(92)30-28-45)81-39-46-20-10-7-11-21-46/h6-11,18-21,27-30,42-43,48-55,58,81,92H,5,12-17,22-26,31-41,71H2,1-4H3,(H,82,93)(H,83,95)(H,84,94)(H,85,96)(H,86,98)(H,87,101)(H,88,100)(H,89,99)(H,90,97)(H,103,104)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oregon State University Curated by ChEMBL					Assay Description Affinity against Opioid receptor kappa 1 was determined by measuring the inhibition of [3H]-bremazocine binding to guinea pig cerebellar membranes				J Med Chem 40: 2733-9 (1997) Article DOI: 10.1021/jm960747t BindingDB Entry DOI: 10.7270/Q2D50M2D
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50002346 (CHEMBL384584 | [D-pro10]Dynorphin A(1-11)) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48+,51-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oregon State University Curated by ChEMBL					Assay Description Affinity against Opioid receptor kappa 1 was determined by measuring the inhibition of [3H]-bremazocine binding to guinea pig cerebellar membranes				J Med Chem 40: 2733-9 (1997) Article DOI: 10.1021/jm960747t BindingDB Entry DOI: 10.7270/Q2D50M2D
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50059586 (CHEMBL406338 | N-allyl[D-Pro-10]Dyn A-(1-11)) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C66H107N21O13/c1-6-29-74-48(35-42-24-26-43(88)27-25-42)55(91)79-37-52(89)78-38-53(90)80-50(36-41-17-9-8-10-18-41)59(95)85-49(34-39(3)4)58(94)82-44(20-13-30-75-64(68)69)56(92)81-45(21-14-31-76-65(70)71)57(93)86-54(40(5)7-2)61(97)83-46(22-15-32-77-66(72)73)62(98)87-33-16-23-51(87)60(96)84-47(63(99)100)19-11-12-28-67/h6,8-10,17-18,24-27,39-40,44-51,54,74,88H,1,7,11-16,19-23,28-38,67H2,2-5H3,(H,78,89)(H,79,91)(H,80,90)(H,81,92)(H,82,94)(H,83,97)(H,84,96)(H,85,95)(H,86,93)(H,99,100)(H4,68,69,75)(H4,70,71,76)(H4,72,73,77)/t40-,44-,45-,46-,47-,48-,49-,50-,51-,54-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oregon State University Curated by ChEMBL					Assay Description Affinity against Opioid receptor kappa 1 was determined by measuring the inhibition of [3H]-bremazocine binding to guinea pig cerebellar membranes				J Med Chem 40: 2733-9 (1997) Article DOI: 10.1021/jm960747t BindingDB Entry DOI: 10.7270/Q2D50M2D
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM409005 (US10377744, Compound No. 26 | US11123311, Compound...) Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C18H23F4N3O3/c1-3-11(2)16(26)25-8-6-12(7-9-25)23-17(27)24-13-4-5-15(14(19)10-13)28-18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,23,24,27)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to purified recombinant human sEH by FRET-displacement assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01886 BindingDB Entry DOI: 10.7270/Q22V2KSZ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM409003 (US10377744, Compound No. 24 | US11123311, Compound...) Show SMILES Fc1cc(NC(=O)NC2CCN(CC2)C(=O)C2CC2)ccc1OC(F)(F)F Show InChI InChI=1S/C17H19F4N3O3/c18-13-9-12(3-4-14(13)27-17(19,20)21)23-16(26)22-11-5-7-24(8-6-11)15(25)10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H2,22,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to purified recombinant human sEH by FRET-displacement assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01886 BindingDB Entry DOI: 10.7270/Q22V2KSZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50059581 (CHEMBL406893 | N,N-diCPM[D-Pro-10]Dyn A-(1-11)) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)N(CC1CC1)CC1CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C71H115N21O13/c1-5-43(4)59(66(102)87-51(20-13-33-81-71(77)78)67(103)92-34-14-21-55(92)65(101)88-52(68(104)105)17-9-10-30-72)90-61(97)50(19-12-32-80-70(75)76)85-60(96)49(18-11-31-79-69(73)74)86-62(98)53(35-42(2)3)89-63(99)54(36-44-15-7-6-8-16-44)84-58(95)39-82-57(94)38-83-64(100)56(37-45-26-28-48(93)29-27-45)91(40-46-22-23-46)41-47-24-25-47/h6-8,15-16,26-29,42-43,46-47,49-56,59,93H,5,9-14,17-25,30-41,72H2,1-4H3,(H,82,94)(H,83,100)(H,84,95)(H,85,96)(H,86,98)(H,87,102)(H,88,101)(H,89,99)(H,90,97)(H,104,105)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,49-,50-,51-,52-,53-,54-,55-,56-,59-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oregon State University Curated by ChEMBL					Assay Description Affinity against Opioid receptor kappa 1 was determined by measuring the inhibition of [3H]-bremazocine binding to guinea pig cerebellar membranes				J Med Chem 40: 2733-9 (1997) Article DOI: 10.1021/jm960747t BindingDB Entry DOI: 10.7270/Q2D50M2D
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50002346 (CHEMBL384584 | [D-pro10]Dynorphin A(1-11)) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48+,51-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oregon State University Curated by ChEMBL					Assay Description Affinity against Opioid receptor mu 1 was determined by measuring the inhibition of [3H]-DAMGO binding to rat forebrain membranes				J Med Chem 40: 2733-9 (1997) Article DOI: 10.1021/jm960747t BindingDB Entry DOI: 10.7270/Q2D50M2D
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50037135 ((4aR,7aR,12bS)-3-Cyclopropylmethyl-9-hydroxy-2,3,4...) Show SMILES Oc1cccc2c1O[C@H]1C(=O)CC[C@H]3CN(CC4CC4)CC[C@]213 Show InChI InChI=1S/C19H23NO3/c21-15-3-1-2-14-17(15)23-18-16(22)7-6-13-11-20(10-12-4-5-12)9-8-19(13,14)18/h1-3,12-13,18,21H,4-11H2/t13-,18-,19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description In vivo binding affinity against mu opioid receptor was measured by using labeled ligand [3H]-Naloxone (0.5 nM)				J Med Chem 37: 3121-7 (1994) BindingDB Entry DOI: 10.7270/Q2PK0F6R
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM408998 (US10377744, Compound No. 19 | US11123311, Compound...) Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1 Show InChI InChI=1S/C17H21F4N3O3/c1-10(2)15(25)24-7-5-11(6-8-24)22-16(26)23-12-3-4-14(13(18)9-12)27-17(19,20)21/h3-4,9-11H,5-8H2,1-2H3,(H2,22,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to purified recombinant human sEH by FRET-displacement assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01886 BindingDB Entry DOI: 10.7270/Q22V2KSZ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM409014 (US10377744, Compound No. 34 | US10377744, Syn34 | ...) Show SMILES CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(c(F)c1)C(F)(F)F |r| Show InChI InChI=1S/C18H23F4N3O2/c1-3-11(2)16(26)25-8-6-12(7-9-25)23-17(27)24-13-4-5-14(15(19)10-13)18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,23,24,27)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to purified recombinant human sEH by FRET-displacement assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01886 BindingDB Entry DOI: 10.7270/Q22V2KSZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50037134 ((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...) Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213 Show InChI InChI=1S/C19H25NO2/c21-16-5-2-4-15-18(16)22-17-6-1-3-14-12-20(11-13-7-8-13)10-9-19(14,15)17/h2,4-5,13-14,17,21H,1,3,6-12H2/t14-,17-,19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description In vivo binding affinity against mu opioid receptor was measured by using labeled ligand [3H]-Naloxone (0.5 nM)				J Med Chem 37: 3121-7 (1994) BindingDB Entry DOI: 10.7270/Q2PK0F6R
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM409002 (US10377744, Compound No. 23 | US11123311, Compound...) Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)c(F)c1 Show InChI InChI=1S/C16H19F4N3O3/c1-2-14(24)23-7-5-10(6-8-23)21-15(25)22-11-3-4-13(12(17)9-11)26-16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to purified recombinant human sEH by FRET-displacement assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01886 BindingDB Entry DOI: 10.7270/Q22V2KSZ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50327809 (1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...) Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to purified recombinant human sEH by FRET-displacement assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01886 BindingDB Entry DOI: 10.7270/Q22V2KSZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002254 (2-(1-Benzyl-piperidin-4-yl)-1-(4-fluoro-phenyl)-et...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H22FNO/c21-19-8-6-18(7-9-19)20(23)14-16-10-12-22(13-11-16)15-17-4-2-1-3-5-17/h1-9,16H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50283327 (1-Cyclopropylmethyl-4-[2-(3-phenyl-prop-2-ynyloxy)...) Show SMILES C(CC1CCN(CC2CC2)CC1)OCC#Cc1ccccc1 Show InChI InChI=1S/C20H27NO/c1-2-5-18(6-3-1)7-4-15-22-16-12-19-10-13-21(14-11-19)17-20-8-9-20/h1-3,5-6,19-20H,8-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards sigma receptor using [3H]-(+)-SKF-10,047 as radioligand				Bioorg Med Chem Lett 4: 2347-2352 (1994) Article DOI: 10.1016/0960-894X(94)85038-0 BindingDB Entry DOI: 10.7270/Q2S75G8F
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50000788 ((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description In vivo binding affinity against mu opioid receptor was measured by using labeled ligand [3H]-Naloxone (0.5 nM)				J Med Chem 37: 3121-7 (1994) BindingDB Entry DOI: 10.7270/Q2PK0F6R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50037134 ((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...) Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213 Show InChI InChI=1S/C19H25NO2/c21-16-5-2-4-15-18(16)22-17-6-1-3-14-12-20(11-13-7-8-13)10-9-19(14,15)17/h2,4-5,13-14,17,21H,1,3,6-12H2/t14-,17-,19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description In vivo binding affinity against kappa opioid receptor was measured by using labeled ligand [3H]-ethylketocyclazocine (1 nM) with 500 nM DADLE and 20...				J Med Chem 37: 3121-7 (1994) BindingDB Entry DOI: 10.7270/Q2PK0F6R
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50037131 ((4aR,7S,7aR,12bS)-3-Cyclopropylmethyl-2,3,4,4a,5,6...) Show SMILES O[C@H]1CC[C@H]2CN(CC3CC3)CC[C@]22[C@H]1Oc1c2cccc1O Show InChI InChI=1S/C19H25NO3/c21-15-3-1-2-14-17(15)23-18-16(22)7-6-13-11-20(10-12-4-5-12)9-8-19(13,14)18/h1-3,12-13,16,18,21-22H,4-11H2/t13-,16-,18-,19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description In vivo binding affinity against mu opioid receptor was measured by using labeled ligand [3H]-Naloxone (0.5 nM)				J Med Chem 37: 3121-7 (1994) BindingDB Entry DOI: 10.7270/Q2PK0F6R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50002346 (CHEMBL384584 | [D-pro10]Dynorphin A(1-11)) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48+,51-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oregon State University Curated by ChEMBL					Assay Description Affinity against Opioid receptor kappa 1 was determined by measuring the inhibition of [3H]U69,593 binding to guinea pig cerebellar membranes				J Med Chem 40: 2733-9 (1997) Article DOI: 10.1021/jm960747t BindingDB Entry DOI: 10.7270/Q2D50M2D
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50037135 ((4aR,7aR,12bS)-3-Cyclopropylmethyl-9-hydroxy-2,3,4...) Show SMILES Oc1cccc2c1O[C@H]1C(=O)CC[C@H]3CN(CC4CC4)CC[C@]213 Show InChI InChI=1S/C19H23NO3/c21-15-3-1-2-14-17(15)23-18-16(22)7-6-13-11-20(10-12-4-5-12)9-8-19(13,14)18/h1-3,12-13,18,21H,4-11H2/t13-,18-,19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description In vivo binding affinity against kappa opioid receptor was measured by using labeled ligand [3H]-ethylketocyclazocine (1 nM) with 500 nM DADLE and 20...				J Med Chem 37: 3121-7 (1994) BindingDB Entry DOI: 10.7270/Q2PK0F6R
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002292 (4-[4-(4-Fluoro-benzyloxymethyl)-piperidin-1-ylmeth...) Show SMILES Fc1ccc(COCC2CCN(Cc3ccncc3)CC2)cc1 Show InChI InChI=1S/C19H23FN2O/c20-19-3-1-17(2-4-19)14-23-15-18-7-11-22(12-8-18)13-16-5-9-21-10-6-16/h1-6,9-10,18H,7-8,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002209 (1-(2,2-Dichloro-1-methyl-cyclopropylmethyl)-4-(4-f...) Show SMILES CC1(CN2CCC(COc3ccc(F)cc3)CC2)CC1(Cl)Cl Show InChI InChI=1S/C17H22Cl2FNO/c1-16(11-17(16,18)19)12-21-8-6-13(7-9-21)10-22-15-4-2-14(20)3-5-15/h2-5,13H,6-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002303 (1-Cyclopropylmethyl-4-(3,4-difluoro-phenoxymethyl)...) Show SMILES Fc1ccc(OCC2CCN(CC3CC3)CC2)cc1F Show InChI InChI=1S/C16H21F2NO/c17-15-4-3-14(9-16(15)18)20-11-13-5-7-19(8-6-13)10-12-1-2-12/h3-4,9,12-13H,1-2,5-8,10-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002219 (1-Benzyl-4-cyclopropoxymethyl-piperidine; compound...) Show SMILES C(OC1CC1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C16H23NO/c1-2-4-14(5-3-1)12-17-10-8-15(9-11-17)13-18-16-6-7-16/h1-5,15-16H,6-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002235 (1-Benzyl-4-(4-trifluoromethyl-phenoxymethyl)-piper...) Show SMILES FC(F)(F)c1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C20H22F3NO/c21-20(22,23)18-6-8-19(9-7-18)25-15-17-10-12-24(13-11-17)14-16-4-2-1-3-5-16/h1-9,17H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002232 (1-Benzyl-4-(4-phenyl-butoxymethyl)-piperidine; hyd...) Show SMILES C(CCc1ccccc1)COCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H31NO/c1-3-9-21(10-4-1)11-7-8-18-25-20-23-14-16-24(17-15-23)19-22-12-5-2-6-13-22/h1-6,9-10,12-13,23H,7-8,11,14-20H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002275 (1-Benzyl-4-(3-phenyl-propoxy)-piperidine; compound...) Show SMILES C(COC1CCN(Cc2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C21H27NO/c1-3-8-19(9-4-1)12-7-17-23-21-13-15-22(16-14-21)18-20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002252 (1-Benzyl-4-(4-fluoro-phenoxymethyl)-piperidine; hy...) Show SMILES Fc1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C19H22FNO/c20-18-6-8-19(9-7-18)22-15-17-10-12-21(13-11-17)14-16-4-2-1-3-5-16/h1-9,17H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002241 (1-(4-Chloro-benzyl)-4-(4-fluoro-benzyloxymethyl)-p...) Show SMILES Fc1ccc(COCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 Show InChI InChI=1S/C20H23ClFNO/c21-19-5-1-16(2-6-19)13-23-11-9-18(10-12-23)15-24-14-17-3-7-20(22)8-4-17/h1-8,18H,9-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002190 (1-Benzyl-4-(4-fluoro-benzyloxymethyl)-piperidine; ...) Show SMILES Fc1ccc(COCC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C20H24FNO/c21-20-8-6-18(7-9-20)15-23-16-19-10-12-22(13-11-19)14-17-4-2-1-3-5-17/h1-9,19H,10-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002229 (1-Benzyl-4-cyclohexyloxymethyl-piperidine; hydroch...) Show SMILES C(OC1CCCCC1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C19H29NO/c1-3-7-17(8-4-1)15-20-13-11-18(12-14-20)16-21-19-9-5-2-6-10-19/h1,3-4,7-8,18-19H,2,5-6,9-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002207 (1-Cyclopropylmethyl-4-(4-fluoro-phenoxymethyl)-pip...) Show SMILES Fc1ccc(OCC2CCN(CC3CC3)CC2)cc1 Show InChI InChI=1S/C16H22FNO/c17-15-3-5-16(6-4-15)19-12-14-7-9-18(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50283336 (4-{2-[3-(4-Fluoro-phenyl)-prop-2-ynyloxy]-ethyl}-1...) Show SMILES Fc1ccc(cc1)C#CCOCCC1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C24H28FNO/c25-24-10-8-22(9-11-24)7-4-19-27-20-15-23-13-17-26(18-14-23)16-12-21-5-2-1-3-6-21/h1-3,5-6,8-11,23H,12-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards sigma receptor using [3H]-(+)-SKF-10,047 as radioligand				Bioorg Med Chem Lett 4: 2347-2352 (1994) Article DOI: 10.1016/0960-894X(94)85038-0 BindingDB Entry DOI: 10.7270/Q2S75G8F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50002346 (CHEMBL384584 | [D-pro10]Dynorphin A(1-11)) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48+,51-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oregon State University Curated by ChEMBL					Assay Description Affinity against Opioid receptor delta 1 was determined by measuring the inhibition of [3H]-DPDPE binding to rat forebrain membranes				J Med Chem 40: 2733-9 (1997) Article DOI: 10.1021/jm960747t BindingDB Entry DOI: 10.7270/Q2D50M2D
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50037135 ((4aR,7aR,12bS)-3-Cyclopropylmethyl-9-hydroxy-2,3,4...) Show SMILES Oc1cccc2c1O[C@H]1C(=O)CC[C@H]3CN(CC4CC4)CC[C@]213 Show InChI InChI=1S/C19H23NO3/c21-15-3-1-2-14-17(15)23-18-16(22)7-6-13-11-20(10-12-4-5-12)9-8-19(13,14)18/h1-3,12-13,18,21H,4-11H2/t13-,18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description In vivo binding affinity against delta Opioid receptor was measured by using labeled ligand [3H]-DADLE (1 nM) with 4 nM sufentanil				J Med Chem 37: 3121-7 (1994) BindingDB Entry DOI: 10.7270/Q2PK0F6R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50059581 (CHEMBL406893 | N,N-diCPM[D-Pro-10]Dyn A-(1-11)) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)N(CC1CC1)CC1CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C71H115N21O13/c1-5-43(4)59(66(102)87-51(20-13-33-81-71(77)78)67(103)92-34-14-21-55(92)65(101)88-52(68(104)105)17-9-10-30-72)90-61(97)50(19-12-32-80-70(75)76)85-60(96)49(18-11-31-79-69(73)74)86-62(98)53(35-42(2)3)89-63(99)54(36-44-15-7-6-8-16-44)84-58(95)39-82-57(94)38-83-64(100)56(37-45-26-28-48(93)29-27-45)91(40-46-22-23-46)41-47-24-25-47/h6-8,15-16,26-29,42-43,46-47,49-56,59,93H,5,9-14,17-25,30-41,72H2,1-4H3,(H,82,94)(H,83,100)(H,84,95)(H,85,96)(H,86,98)(H,87,102)(H,88,101)(H,89,99)(H,90,97)(H,104,105)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,49-,50-,51-,52-,53-,54-,55-,56-,59-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oregon State University Curated by ChEMBL					Assay Description Affinity against Opioid receptor kappa 1 was determined by measuring the inhibition of [3H]U69,593 binding to guinea pig cerebellar membranes				J Med Chem 40: 2733-9 (1997) Article DOI: 10.1021/jm960747t BindingDB Entry DOI: 10.7270/Q2D50M2D
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002280 (1-(1-Benzyl-piperidin-4-yl)-2-(4-fluoro-phenyl)-et...) Show SMILES Fc1ccc(CC(=O)C2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C20H22FNO/c21-19-8-6-16(7-9-19)14-20(23)18-10-12-22(13-11-18)15-17-4-2-1-3-5-17/h1-9,18H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002284 (1-Benzyl-4-(4-methoxy-phenoxymethyl)-piperidine | ...) Show SMILES COc1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C20H25NO2/c1-22-19-7-9-20(10-8-19)23-16-18-11-13-21(14-12-18)15-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002217 (2-[1-(4-Fluoro-benzyl)-piperidin-4-yl]-1-(4-fluoro...) Show SMILES Fc1ccc(CN2CCC(CC(=O)c3ccc(F)cc3)CC2)cc1 Show InChI InChI=1S/C20H21F2NO/c21-18-5-1-16(2-6-18)14-23-11-9-15(10-12-23)13-20(24)17-3-7-19(22)8-4-17/h1-8,15H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002272 (1-(2-Cyclopropyl-ethyl)-4-(4-fluoro-phenoxymethyl)...) Show SMILES Fc1ccc(OCC2CCN(CCC3CC3)CC2)cc1 Show InChI InChI=1S/C17H24FNO/c18-16-3-5-17(6-4-16)20-13-15-8-11-19(12-9-15)10-7-14-1-2-14/h3-6,14-15H,1-2,7-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002197 (1-(1-Benzyl-piperidin-4-yl)-3-(4-fluoro-phenyl)-pr...) Show SMILES Fc1ccc(CC(=O)CC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C21H24FNO/c22-20-8-6-17(7-9-20)14-21(24)15-18-10-12-23(13-11-18)16-19-4-2-1-3-5-19/h1-9,18H,10-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002263 (1-Cyclohexylmethyl-4-(4-fluoro-benzyloxymethyl)-pi...) Show SMILES Fc1ccc(COCC2CCN(CC3CCCCC3)CC2)cc1 Show InChI InChI=1S/C20H30FNO/c21-20-8-6-18(7-9-20)15-23-16-19-10-12-22(13-11-19)14-17-4-2-1-3-5-17/h6-9,17,19H,1-5,10-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002187 (1-(1-Benzyl-piperidin-4-yl)-2-(4-fluoro-phenyl)-et...) Show SMILES OC(Cc1ccc(F)cc1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H24FNO/c21-19-8-6-16(7-9-19)14-20(23)18-10-12-22(13-11-18)15-17-4-2-1-3-5-17/h1-9,18,20,23H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002250 (1-(4-Fluoro-phenyl)-2-[1-(4-trifluoromethyl-benzyl...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(Cc2ccc(cc2)C(F)(F)F)CC1 Show InChI InChI=1S/C21H21F4NO/c22-19-7-3-17(4-8-19)20(27)13-15-9-11-26(12-10-15)14-16-1-5-18(6-2-16)21(23,24)25/h1-8,15H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM409029 (US10377744, Compound No. 49 | US11123311, Compound...) Show SMILES CC[C@H](C)C(=O)N1CCC(CC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1 |r| Show InChI InChI=1S/C19H24F4N2O3/c1-3-12(2)18(27)25-8-6-13(7-9-25)10-17(26)24-14-4-5-16(15(20)11-14)28-19(21,22)23/h4-5,11-13H,3,6-10H2,1-2H3,(H,24,26)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to purified recombinant human sEH by FRET-displacement assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01886 BindingDB Entry DOI: 10.7270/Q22V2KSZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002268 (1-Benzyl-4-(3-phenyl-propoxymethyl)-piperidine; co...) Show SMILES C(COCC1CCN(Cc2ccccc2)CC1)Cc1ccccc1 Show InChI InChI=1S/C22H29NO/c1-3-8-20(9-4-1)12-7-17-24-19-22-13-15-23(16-14-22)18-21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50059583 (CHEMBL268818 | N-benzyl[D-Pro-10]Dyn A-(1-11) | Ph...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C70H109N21O13/c1-5-43(4)58(65(101)87-50(25-16-34-80-70(76)77)66(102)91-35-17-26-55(91)64(100)88-51(67(103)104)22-12-13-31-71)90-61(97)49(24-15-33-79-69(74)75)85-60(96)48(23-14-32-78-68(72)73)86-62(98)53(36-42(2)3)89-63(99)54(38-44-18-8-6-9-19-44)84-57(94)41-82-56(93)40-83-59(95)52(37-45-27-29-47(92)30-28-45)81-39-46-20-10-7-11-21-46/h6-11,18-21,27-30,42-43,48-55,58,81,92H,5,12-17,22-26,31-41,71H2,1-4H3,(H,82,93)(H,83,95)(H,84,94)(H,85,96)(H,86,98)(H,87,101)(H,88,100)(H,89,99)(H,90,97)(H,103,104)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oregon State University Curated by ChEMBL					Assay Description Affinity against Opioid receptor kappa 1 was determined by measuring the inhibition of [3H]U69,593 binding to guinea pig cerebellar membranes				J Med Chem 40: 2733-9 (1997) Article DOI: 10.1021/jm960747t BindingDB Entry DOI: 10.7270/Q2D50M2D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A/2B/2C (Mus musculus (Mouse))	BDBM50002288 (1-(4-Fluoro-phenyl)-2-{1-[2-(4-trifluoromethyl-phe...) Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CCc2ccc(cc2)C(F)(F)F)CC1 Show InChI InChI=1S/C22H23F4NO/c23-20-7-3-18(4-8-20)21(28)15-17-10-13-27(14-11-17)12-9-16-1-5-19(6-2-16)22(24,25)26/h1-8,17H,9-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for serotonin 5-hydroxytryptamine (5-HT) 2 receptors				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Mus musculus (Mouse))	BDBM50002267 (1-Benzyl-4-(4-methoxy-benzyloxymethyl)-piperidine;...) Show SMILES COc1ccc(COCC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C21H27NO2/c1-23-21-9-7-19(8-10-21)16-24-17-20-11-13-22(14-12-20)15-18-5-3-2-4-6-18/h2-10,20H,11-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro binding affinity for the mouse sigma opioid receptor				J Med Chem 35: 4344-61 (1992) BindingDB Entry DOI: 10.7270/Q28P614G
					More data for this Ligand-Target Pair

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