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Compile Data Set for Download or QSAR

Found 294 hits with Last Name = 'clarke' and Initial = 'gd'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Leukocyte elastase


(Homo sapiens (Human))
BDBM50118030
PNG
(4-(5-Cyclopropylaminomethyl-pyrazine-2-carbonyl)-3...)
Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c2cnc(CNC3CC3)cn2)N(C1=O)S(C)(=O)=O
Show InChI InChI=1S/C19H27N5O4S/c1-11(2)16-17-15(24(19(16)26)29(3,27)28)6-7-23(17)18(25)14-10-21-13(9-22-14)8-20-12-4-5-12/h9-12,15-17,20H,4-8H2,1-3H3/t15-,16+,17-/m1/s1
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0.0140n/an/an/an/an/an/an/an/a



GSK

Curated by ChEMBL


Assay Description
The compound was evaluated for its binding affinity towards human neutrophil elastase (HNE)


J Med Chem 45: 3878-90 (2002)


Article DOI: 10.1021/jm020881f
BindingDB Entry DOI: 10.7270/Q2HM596S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001107
PNG
(2-(3,4-Dichloro-phenyl)-1-(5-hydroxy-1-pyrrolidin-...)
Show SMILES Oc1cccc2C(CN3CCCC3)N(CCc12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H24Cl2N2O2/c23-18-7-6-15(12-19(18)24)13-22(28)26-11-8-17-16(4-3-5-21(17)27)20(26)14-25-9-1-2-10-25/h3-7,12,20,27H,1-2,8-11,13-14H2
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0.0900n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Receptor binding affinity towards opioid receptor kappa


J Med Chem 35: 2970-8 (1992)


Article DOI: 10.1021/jm00094a006
BindingDB Entry DOI: 10.7270/Q2P26ZR7
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50118028
PNG
(3-Isopropyl-1-methanesulfonyl-4-(2-pyrrolidin-1-yl...)
Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c2coc(CN3CCCC3)n2)N(C1=O)S(C)(=O)=O
Show InChI InChI=1S/C19H28N4O5S/c1-12(2)16-17-14(23(19(16)25)29(3,26)27)6-9-22(17)18(24)13-11-28-15(20-13)10-21-7-4-5-8-21/h11-12,14,16-17H,4-10H2,1-3H3/t14-,16+,17-/m1/s1
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0.160n/an/an/an/a 4.90 3.05E+4n/an/a



GSK

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against human neutrophil elastase (HNE) using whole blood assay


J Med Chem 45: 3878-90 (2002)


Article DOI: 10.1021/jm020881f
BindingDB Entry DOI: 10.7270/Q2HM596S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50118028
PNG
(3-Isopropyl-1-methanesulfonyl-4-(2-pyrrolidin-1-yl...)
Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c2coc(CN3CCCC3)n2)N(C1=O)S(C)(=O)=O
Show InChI InChI=1S/C19H28N4O5S/c1-12(2)16-17-14(23(19(16)25)29(3,26)27)6-9-22(17)18(24)13-11-28-15(20-13)10-21-7-4-5-8-21/h11-12,14,16-17H,4-10H2,1-3H3/t14-,16+,17-/m1/s1
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0.160n/an/an/an/an/an/an/an/a



GSK

Curated by ChEMBL


Assay Description
The compound was evaluated for its binding affinity towards human neutrophil elastase (HNE)


J Med Chem 45: 3878-90 (2002)


Article DOI: 10.1021/jm020881f
BindingDB Entry DOI: 10.7270/Q2HM596S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001108
PNG
(2-(3,4-Dichloro-phenyl)-1-(1-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3ccccc3C2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C22H24Cl2N2O/c23-19-8-7-16(13-20(19)24)14-22(27)26-12-9-17-5-1-2-6-18(17)21(26)15-25-10-3-4-11-25/h1-2,5-8,13,21H,3-4,9-12,14-15H2
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0.200n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Receptor binding affinity towards opioid receptor kappa


J Med Chem 35: 2970-8 (1992)


Article DOI: 10.1021/jm00094a006
BindingDB Entry DOI: 10.7270/Q2P26ZR7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001108
PNG
(2-(3,4-Dichloro-phenyl)-1-(1-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3ccccc3C2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C22H24Cl2N2O/c23-19-8-7-16(13-20(19)24)14-22(27)26-12-9-17-5-1-2-6-18(17)21(26)15-25-10-3-4-11-25/h1-2,5-8,13,21H,3-4,9-12,14-15H2
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0.200n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig


J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007159
PNG
(2-(3,4-Dichloro-phenyl)-1-(4-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3sccc3C2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C20H22Cl2N2OS/c21-16-4-3-14(11-17(16)22)12-20(25)24-9-5-19-15(6-10-26-19)18(24)13-23-7-1-2-8-23/h3-4,6,10-11,18H,1-2,5,7-9,12-13H2
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0.220n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig


J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50453089
PNG
(CHEMBL2114225)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3ccccc3[C@H]2CN2CCCC2)cc1
Show InChI InChI=1S/C23H25F3N2O/c24-23(25,26)19-9-7-17(8-10-19)15-22(29)28-14-11-18-5-1-2-6-20(18)21(28)16-27-12-3-4-13-27/h1-2,5-10,21H,3-4,11-16H2/t21-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig


J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007158
PNG
((S)-2-(3,4-Dichloro-phenyl)-1-(2-pyrrolidin-1-ylme...)
Show SMILES Clc1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C18H24Cl2N2O/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21/h6-7,11,15H,1-5,8-10,12-13H2/t15-/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007158
PNG
((S)-2-(3,4-Dichloro-phenyl)-1-(2-pyrrolidin-1-ylme...)
Show SMILES Clc1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C18H24Cl2N2O/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21/h6-7,11,15H,1-5,8-10,12-13H2/t15-/m0/s1
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0.310n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig


J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50118029
PNG
(3-Isopropyl-1-methanesulfonyl-4-(4-piperidin-1-yl-...)
Show SMILES Cl.CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)\C=C\CN2CCCCC2)N(C1=O)S(C)(=O)=O
Show InChI InChI=1S/C19H31N3O4S/c1-14(2)17-18-15(22(19(17)24)27(3,25)26)9-13-21(18)16(23)8-7-12-20-10-5-4-6-11-20/h7-8,14-15,17-18H,4-6,9-13H2,1-3H3/b8-7+/t15-,17+,18-/m1/s1
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0.310n/an/an/an/an/an/an/an/a



GSK

Curated by ChEMBL


Assay Description
The compound was evaluated for its binding affinity towards human neutrophil elastase (HNE)


J Med Chem 45: 3878-90 (2002)


Article DOI: 10.1021/jm020881f
BindingDB Entry DOI: 10.7270/Q2HM596S
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50118029
PNG
(3-Isopropyl-1-methanesulfonyl-4-(4-piperidin-1-yl-...)
Show SMILES Cl.CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)\C=C\CN2CCCCC2)N(C1=O)S(C)(=O)=O
Show InChI InChI=1S/C19H31N3O4S/c1-14(2)17-18-15(22(19(17)24)27(3,25)26)9-13-21(18)16(23)8-7-12-20-10-5-4-6-11-20/h7-8,14-15,17-18H,4-6,9-13H2,1-3H3/b8-7+/t15-,17+,18-/m1/s1
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0.310n/an/an/an/a 0.00000207 6.63E+3n/an/a



GSK

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against human neutrophil elastase (HNE) using whole blood assay


J Med Chem 45: 3878-90 (2002)


Article DOI: 10.1021/jm020881f
BindingDB Entry DOI: 10.7270/Q2HM596S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008888
PNG
((threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-methyl-pyrr...)
Show SMILES CN1CCCC1C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H24Cl2N2O/c1-21-9-4-6-16(21)17-5-2-3-10-22(17)18(23)12-13-7-8-14(19)15(20)11-13/h7-8,11,16-17H,2-6,9-10,12H2,1H3
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0.330n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001104
PNG
(2-(3,4-Dichloro-phenyl)-1-(3-methyl-1-pyrrolidin-1...)
Show SMILES C[C@@H]1Cc2ccccc2C(CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O/c1-16-12-18-6-2-3-7-19(18)22(15-26-10-4-5-11-26)27(16)23(28)14-17-8-9-20(24)21(25)13-17/h2-3,6-9,13,16,22H,4-5,10-12,14-15H2,1H3/t16-,22?/m1/s1
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0.430n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Receptor binding affinity towards opioid receptor kappa


J Med Chem 35: 2970-8 (1992)


Article DOI: 10.1021/jm00094a006
BindingDB Entry DOI: 10.7270/Q2P26ZR7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007166
PNG
(2-(3,4-Dichloro-phenyl)-1-(7-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCc3ccsc3C2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C20H22Cl2N2OS/c21-16-4-3-14(11-17(16)22)12-19(25)24-9-5-15-6-10-26-20(15)18(24)13-23-7-1-2-8-23/h3-4,6,10-11,18H,1-2,5,7-9,12-13H2
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0.460n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig


J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007165
PNG
(2-(3,4-Dichloro-phenyl)-1-(4-piperidin-1-ylmethyl-...)
Show SMILES Clc1ccc(CC(=O)N2CCc3sccc3C2CN2CCCCC2)cc1Cl
Show InChI InChI=1S/C21H24Cl2N2OS/c22-17-5-4-15(12-18(17)23)13-21(26)25-10-6-20-16(7-11-27-20)19(25)14-24-8-2-1-3-9-24/h4-5,7,11-12,19H,1-3,6,8-10,13-14H2
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0.470n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig


J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000278
PNG
(2-(3,4-Dichloro-phenyl)-1-(2-piperidin-1-ylmethyl-...)
Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCCCC2)cc1Cl
Show InChI InChI=1S/C19H26Cl2N2O/c20-17-8-7-15(12-18(17)21)13-19(24)23-11-5-2-6-16(23)14-22-9-3-1-4-10-22/h7-8,12,16H,1-6,9-11,13-14H2
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0.480n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Opioid receptor kappa 1 subtype in guinea pig brain (minus cerebellum)using [3H]-U-69,593 as ...


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001107
PNG
(2-(3,4-Dichloro-phenyl)-1-(5-hydroxy-1-pyrrolidin-...)
Show SMILES Oc1cccc2C(CN3CCCC3)N(CCc12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H24Cl2N2O2/c23-18-7-6-15(12-19(18)24)13-22(28)26-11-8-17-16(4-3-5-21(17)27)20(26)14-25-9-1-2-10-25/h3-7,12,20,27H,1-2,8-11,13-14H2
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0.490n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Receptor binding affinity towards opioid receptor mu


J Med Chem 35: 2970-8 (1992)


Article DOI: 10.1021/jm00094a006
BindingDB Entry DOI: 10.7270/Q2P26ZR7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1CC35O
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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0.5n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 using [3H][D-Ala2, D-Leu5]-enkephalin as radioligand


J Med Chem 40: 3192-8 (1997)


Article DOI: 10.1021/jm9608218
BindingDB Entry DOI: 10.7270/Q29C6Z3D
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50049806
PNG
(CHEMBL127969 | Thiophene-2-carboxylic acid [2-(1-m...)
Show SMILES CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)
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0.5n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50453088
PNG
(CHEMBL2114226)
Show SMILES CN(C)CC1N(CCc2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2O.C4H6O6.C2H6O/c1-23(2)13-19-16-6-4-3-5-15(16)9-10-24(19)20(25)12-14-7-8-17(21)18(22)11-14;5-1(3(7)8)2(6)4(9)10;1-2-3/h3-8,11,19H,9-10,12-13H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10);3H,2H2,1H3
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0.510n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig


J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000287
PNG
(2-(3,4-Dichloro-phenyl)-1-(2-pyrrolidin-1-ylmethyl...)
Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1Cl
Show InChI InChI=1S/C18H24Cl2N2O/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21/h6-7,11,15H,1-5,8-10,12-13H2
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0.530n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Opioid receptor kappa 1 subtype in guinea pig brain (minus cerebellum) .using [3H]-U-69,593 a...


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50049802
PNG
(4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H24FN3O/c1-29-21(15-16-27-25(30)19-11-13-20(26)14-12-19)17-28-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)29/h2-14,21H,15-17H2,1H3,(H,27,30)
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0.560n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008895
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(4-tr...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-8-6-15(7-9-16)13-18(25)24-12-2-1-5-17(24)14-23-10-3-4-11-23/h6-9,17H,1-5,10-14H2
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0.570n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007167
PNG
(1-(4-Piperidin-1-ylmethyl-6,7-dihydro-4H-thieno[3,...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3sccc3C2CN2CCCCC2)cc1
Show InChI InChI=1S/C22H25F3N2OS/c23-22(24,25)17-6-4-16(5-7-17)14-21(28)27-12-8-20-18(9-13-29-20)19(27)15-26-10-2-1-3-11-26/h4-7,9,13,19H,1-3,8,10-12,14-15H2
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0.600n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig


J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001105
PNG
(2-(3,4-Dichloro-phenyl)-1-(4-methyl-1-pyrrolidin-1...)
Show SMILES C[C@@H]1CN(C(CN2CCCC2)c2ccccc12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O/c1-16-14-27(23(28)13-17-8-9-20(24)21(25)12-17)22(15-26-10-4-5-11-26)19-7-3-2-6-18(16)19/h2-3,6-9,12,16,22H,4-5,10-11,13-15H2,1H3/t16-,22?/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Receptor binding affinity towards opioid receptor kappa


J Med Chem 35: 2970-8 (1992)


Article DOI: 10.1021/jm00094a006
BindingDB Entry DOI: 10.7270/Q2P26ZR7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008889
PNG
((threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-dimethylami...)
Show SMILES CC(C1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1)N(C)C
Show InChI InChI=1S/C17H24Cl2N2O/c1-12(20(2)3)16-6-4-5-9-21(16)17(22)11-13-7-8-14(18)15(19)10-13/h7-8,10,12,16H,4-6,9,11H2,1-3H3
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0.600n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007157
PNG
((-)-1-(1-Piperidin-1-ylmethyl-3,4-dihydro-1H-isoqu...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCc3ccccc3C2CN2CCCCC2)cc1
Show InChI InChI=1S/C24H27F3N2O/c25-24(26,27)20-10-8-18(9-11-20)16-23(30)29-15-12-19-6-2-3-7-21(19)22(29)17-28-13-4-1-5-14-28/h2-3,6-11,22H,1,4-5,12-17H2
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0.620n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig


J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50007164
PNG
((S)-1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-8-6-15(7-9-16)13-18(25)24-12-2-1-5-17(24)14-23-10-3-4-11-23/h6-9,17H,1-5,10-14H2/t17-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



SmithKline Beecham Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity at kappa receptor


J Med Chem 37: 3482-91 (1994)


Article DOI: 10.1021/jm00047a006
BindingDB Entry DOI: 10.7270/Q2W37VB6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007164
PNG
((S)-1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCC[C@H]2CN2CCCC2)cc1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-8-6-15(7-9-16)13-18(25)24-12-2-1-5-17(24)14-23-10-3-4-11-23/h6-9,17H,1-5,10-14H2/t17-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-BRL 52537 from opioid receptor kappa site in guinea pig


J Med Chem 34: 2624-33 (1991)


Article DOI: 10.1021/jm00112a042
BindingDB Entry DOI: 10.7270/Q2CV4GPX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50452995
PNG
(CHEMBL2111856)
Show SMILES CN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H22Cl2N2O/c1-19(2)11-13-5-3-4-8-20(13)16(21)10-12-6-7-14(17)15(18)9-12/h6-7,9,13H,3-5,8,10-11H2,1-2H3/t13-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50049805
PNG
(CHEMBL169703 | Thiophene-3-carboxylic acid [5-(2-f...)
Show SMILES CN1C(CNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12
Show InChI InChI=1S/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)
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0.780n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008895
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(4-tr...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-8-6-15(7-9-16)13-18(25)24-12-2-1-5-17(24)14-23-10-3-4-11-23/h6-9,17H,1-5,10-14H2
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0.780n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50218796
PNG
(CHEMBL557978 | OXYMORPHINDOLE CHLORIDE | oxymorphi...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O
Show InChI InChI=1S/C23H22N2O3/c1-25-9-8-22-18-12-6-7-16(26)20(18)28-21(22)19-14(11-23(22,27)17(25)10-12)13-4-2-3-5-15(13)24-19/h2-7,17,21,24,26-27H,8-11H2,1H3/t17-,21+,22+,23-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 using [3H][D-Ala2, D-Leu5]-enkephalin as radioligand


J Med Chem 40: 3192-8 (1997)


Article DOI: 10.1021/jm9608218
BindingDB Entry DOI: 10.7270/Q29C6Z3D
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50037595
PNG
(1-((S)-2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(...)
Show SMILES O=C(Cc1ccc2CCCCc2c1)N1CCCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C22H32N2O/c25-22(16-18-10-11-19-7-1-2-8-20(19)15-18)24-14-4-3-9-21(24)17-23-12-5-6-13-23/h10-11,15,21H,1-9,12-14,16-17H2/t21-/m0/s1
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0.810n/an/an/an/an/an/an/an/a



SmithKline Beecham Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity at kappa receptor


J Med Chem 37: 3482-91 (1994)


Article DOI: 10.1021/jm00047a006
BindingDB Entry DOI: 10.7270/Q2W37VB6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008897
PNG
(2-(4-Bromo-phenyl)-1-(2-pyrrolidin-1-ylmethyl-pipe...)
Show SMILES Brc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
Show InChI InChI=1S/C18H25BrN2O/c19-16-8-6-15(7-9-16)13-18(22)21-12-2-1-5-17(21)14-20-10-3-4-11-20/h6-9,17H,1-5,10-14H2
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0.840n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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0.970n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50049807
PNG
(2-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H24FN3O/c1-29-19(15-16-27-25(30)20-11-5-7-13-22(20)26)17-28-24(18-9-3-2-4-10-18)21-12-6-8-14-23(21)29/h2-14,19H,15-17H2,1H3,(H,27,30)
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1n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008898
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(3-tr...)
Show SMILES FC(F)(F)c1cccc(CC(=O)N2CCCCC2CN2CCCC2)c1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)16-7-5-6-15(12-16)13-18(25)24-11-2-1-8-17(24)14-23-9-3-4-10-23/h5-7,12,17H,1-4,8-11,13-14H2
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1.10n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM83436
PNG
(2-(3,4-dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-7-(1...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H30Cl2N2O2/c1-25(21(27)14-16-5-6-17(23)18(24)13-16)19-7-9-22(8-4-12-28-22)15-20(19)26-10-2-3-11-26/h5-6,13,19-20H,2-4,7-12,14-15H2,1H3/t19-,20-,22-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



SmithKline Beecham Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity at kappa receptor


J Med Chem 37: 3482-91 (1994)


Article DOI: 10.1021/jm00047a006
BindingDB Entry DOI: 10.7270/Q2W37VB6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008899
PNG
(2-(3,4-Dichloro-phenyl)-1-(2-diethylaminomethyl-pi...)
Show SMILES CCN(CC)CC1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H26Cl2N2O/c1-3-21(4-2)13-15-7-5-6-10-22(15)18(23)12-14-8-9-16(19)17(20)11-14/h8-9,11,15H,3-7,10,12-13H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000267
PNG
(2-(3,4-Dichloro-phenyl)-1-(2-dimethylaminomethyl-p...)
Show SMILES CN(C)CC1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H22Cl2N2O/c1-19(2)11-13-5-3-4-8-20(13)16(21)10-12-6-7-14(17)15(18)9-12/h6-7,9,13H,3-5,8,10-11H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Opioid receptor kappa 1 subtype in guinea pig brain (minus cerebellum)using [3H]-U-69,593 as ...


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50061064
PNG
((4aR,8aS)-6-Cyclopropylmethyl-8a-(3-hydroxy-phenyl...)
Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC4CC4)C[C@@H]3Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C27H37N3O2/c1-4-30(5-2)26(32)25-18(3)23-14-21-17-29(16-19-9-10-19)12-11-27(21,15-24(23)28-25)20-7-6-8-22(31)13-20/h6-8,13,19,21,28,31H,4-5,9-12,14-17H2,1-3H3/t21-,27+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 using [3H][D-Ala2, D-Leu5]-enkephalin as radioligand


J Med Chem 40: 3192-8 (1997)


Article DOI: 10.1021/jm9608218
BindingDB Entry DOI: 10.7270/Q29C6Z3D
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50118027
PNG
(4-[1-(2,2-Dimethyl-propyl)-azetidine-3-carbonyl]-3...)
Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)C2CN(CC(C)(C)C)C2)N(C1=O)S(C)(=O)=O
Show InChI InChI=1S/C19H33N3O4S/c1-12(2)15-16-14(22(18(15)24)27(6,25)26)7-8-21(16)17(23)13-9-20(10-13)11-19(3,4)5/h12-16H,7-11H2,1-6H3/t14-,15+,16-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



GSK

Curated by ChEMBL


Assay Description
The compound was evaluated for its binding affinity towards human neutrophil elastase (HNE)


J Med Chem 45: 3878-90 (2002)


Article DOI: 10.1021/jm020881f
BindingDB Entry DOI: 10.7270/Q2HM596S
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 using [3H][D-Ala2, D-Leu5]-enkephalin as radioligand


J Med Chem 40: 3192-8 (1997)


Article DOI: 10.1021/jm9608218
BindingDB Entry DOI: 10.7270/Q29C6Z3D
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008892
PNG
(2-(4-Chloro-phenyl)-1-(2-pyrrolidin-1-ylmethyl-pip...)
Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
Show InChI InChI=1S/C18H25ClN2O/c19-16-8-6-15(7-9-16)13-18(22)21-12-2-1-5-17(21)14-20-10-3-4-11-20/h6-9,17H,1-5,10-14H2
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1.70n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50118027
PNG
(4-[1-(2,2-Dimethyl-propyl)-azetidine-3-carbonyl]-3...)
Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)C2CN(CC(C)(C)C)C2)N(C1=O)S(C)(=O)=O
Show InChI InChI=1S/C19H33N3O4S/c1-12(2)15-16-14(22(18(15)24)27(6,25)26)7-8-21(16)17(23)13-9-20(10-13)11-19(3,4)5/h12-16H,7-11H2,1-6H3/t14-,15+,16-/m1/s1
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1.73n/an/an/an/a 0.0000109 6.31E+3n/an/a



GSK

Curated by ChEMBL


Assay Description
The compound was evaluated for its inhibitory activity against human neutrophil elastase (HNE) using whole blood assay


J Med Chem 45: 3878-90 (2002)


Article DOI: 10.1021/jm020881f
BindingDB Entry DOI: 10.7270/Q2HM596S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008893
PNG
(2-(3,4-Dimethyl-phenyl)-1-(2-pyrrolidin-1-ylmethyl...)
Show SMILES Cc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1C
Show InChI InChI=1S/C20H30N2O/c1-16-8-9-18(13-17(16)2)14-20(23)22-12-4-3-7-19(22)15-21-10-5-6-11-21/h8-9,13,19H,3-7,10-12,14-15H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50049805
PNG
(CHEMBL169703 | Thiophene-3-carboxylic acid [5-(2-f...)
Show SMILES CN1C(CNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12
Show InChI InChI=1S/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)
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1.90n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50061061
PNG
((4aR,8aS)-6-Ethyl-8a-(3-hydroxy-phenyl)-3-methyl-4...)
Show SMILES CCN(CC)C(=O)c1[nH]c2C[C@]3(CCN(CC)C[C@@H]3Cc2c1C)c1cccc(O)c1
Show InChI InChI=1S/C25H35N3O2/c1-5-27-12-11-25(18-9-8-10-20(29)13-18)15-22-21(14-19(25)16-27)17(4)23(26-22)24(30)28(6-2)7-3/h8-10,13,19,26,29H,5-7,11-12,14-16H2,1-4H3/t19-,25+/m0/s1
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1.90n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 using [3H][D-Ala2, D-Leu5]-enkephalin as radioligand


J Med Chem 40: 3192-8 (1997)


Article DOI: 10.1021/jm9608218
BindingDB Entry DOI: 10.7270/Q29C6Z3D
More data for this
Ligand-Target Pair
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