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27 similar compounds to monomer 50145609

Compile data set for download or QSAR
Wt: 472.4
BDBM50133872
Wt: 391.4
BDBM50133877
Wt: 455.4
BDBM50133883
Wt: 434.6
BDBM50133884
Wt: 435.6
BDBM50133886
Wt: 469.6
BDBM50133891
Wt: 521.6
BDBM50133896
Wt: 553.9
BDBM50145646
Wt: 239.3
BDBM50145679
Wt: 286.3
BDBM50145632
Wt: 580.9
BDBM50145640
Wt: 252.2
BDBM50133897
Wt: 565.9
BDBM50145653
Wt: 550.9
BDBM50145655
Wt: 539.9
BDBM50145658
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 50133872,50133877,50133883,50133884,50133886,50133891,50133896,50145646,50145679,50145632,50145640,50133897,50145653,50145655,50145658   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133884
PNG
(CHEMBL3634251)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(CC3CCCCC3)cc12
Show InChI InChI=1S/C28H38N2O2/c1-18-13-23(31)14-19(2)24(18)17-26(29)28(32)30-27-10-6-9-22-12-11-21(16-25(22)27)15-20-7-4-3-5-8-20/h11-14,16,20,26-27,31H,3-10,15,17,29H2,1-2H3,(H,30,32)/t26-,27+/m0/s1
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0.0120n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133896
PNG
(CHEMBL3634252)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12
Show InChI InChI=1S/C33H35N3O3/c1-20-14-27(38)15-21(2)28(20)19-30(34)33(39)35-31-12-13-36(22(3)37)32-11-9-24(18-29(31)32)16-23-8-10-25-6-4-5-7-26(25)17-23/h4-11,14-15,17-18,30-31,38H,12-13,16,19,34H2,1-3H3,(H,35,39)/t30-,31+/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133886
PNG
(CHEMBL3634249)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCCCC3)cc12
Show InChI InChI=1S/C27H37N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h8-9,12-13,15,19,24,26,29,31H,3-7,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26+/m0/s1
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0.0430n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133891
PNG
(CHEMBL3634257)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCc4ccccc34)cc12
Show InChI InChI=1S/C30H35N3O2/c1-18-13-23(34)14-19(2)25(18)17-27(31)30(35)33-29-11-12-32-28-10-7-20(16-26(28)29)15-22-9-8-21-5-3-4-6-24(21)22/h3-7,10,13-14,16,22,27,29,32,34H,8-9,11-12,15,17,31H2,1-2H3,(H,33,35)/t22?,27-,29+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50133896
PNG
(CHEMBL3634252)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12
Show InChI InChI=1S/C33H35N3O3/c1-20-14-27(38)15-21(2)28(20)19-30(34)33(39)35-31-12-13-36(22(3)37)32-11-9-24(18-29(31)32)16-23-8-10-25-6-4-5-7-26(25)17-23/h4-11,14-15,17-18,30-31,38H,12-13,16,19,34H2,1-3H3,(H,35,39)/t30-,31+/m0/s1
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0.230n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50133886
PNG
(CHEMBL3634249)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCCCC3)cc12
Show InChI InChI=1S/C27H37N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h8-9,12-13,15,19,24,26,29,31H,3-7,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26+/m0/s1
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3.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50133886
PNG
(CHEMBL3634249)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCCCC3)cc12
Show InChI InChI=1S/C27H37N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h8-9,12-13,15,19,24,26,29,31H,3-7,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26+/m0/s1
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6.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa-opioid receptor expressed in CHO cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50133891
PNG
(CHEMBL3634257)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCc4ccccc34)cc12
Show InChI InChI=1S/C30H35N3O2/c1-18-13-23(34)14-19(2)25(18)17-27(31)30(35)33-29-11-12-32-28-10-7-20(16-26(28)29)15-22-9-8-21-5-3-4-6-24(21)22/h3-7,10,13-14,16,22,27,29,32,34H,8-9,11-12,15,17,31H2,1-2H3,(H,33,35)/t22?,27-,29+/m0/s1
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6.80n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50133884
PNG
(CHEMBL3634251)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(CC3CCCCC3)cc12
Show InChI InChI=1S/C28H38N2O2/c1-18-13-23(31)14-19(2)24(18)17-26(29)28(32)30-27-10-6-9-22-12-11-21(16-25(22)27)15-20-7-4-3-5-8-20/h11-14,16,20,26-27,31H,3-10,15,17,29H2,1-2H3,(H,30,32)/t26-,27+/m0/s1
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14n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat delta-opioid receptor expressed in C6 cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50133891
PNG
(CHEMBL3634257)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCc4ccccc34)cc12
Show InChI InChI=1S/C30H35N3O2/c1-18-13-23(34)14-19(2)25(18)17-27(31)30(35)33-29-11-12-32-28-10-7-20(16-26(28)29)15-22-9-8-21-5-3-4-6-24(21)22/h3-7,10,13-14,16,22,27,29,32,34H,8-9,11-12,15,17,31H2,1-2H3,(H,33,35)/t22?,27-,29+/m0/s1
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19n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa-opioid receptor expressed in CHO cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50133884
PNG
(CHEMBL3634251)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(CC3CCCCC3)cc12
Show InChI InChI=1S/C28H38N2O2/c1-18-13-23(31)14-19(2)24(18)17-26(29)28(32)30-27-10-6-9-22-12-11-21(16-25(22)27)15-20-7-4-3-5-8-20/h11-14,16,20,26-27,31H,3-10,15,17,29H2,1-2H3,(H,30,32)/t26-,27+/m0/s1
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20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa-opioid receptor expressed in CHO cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50133896
PNG
(CHEMBL3634252)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12
Show InChI InChI=1S/C33H35N3O3/c1-20-14-27(38)15-21(2)28(20)19-30(34)33(39)35-31-12-13-36(22(3)37)32-11-9-24(18-29(31)32)16-23-8-10-25-6-4-5-7-26(25)17-23/h4-11,14-15,17-18,30-31,38H,12-13,16,19,34H2,1-3H3,(H,35,39)/t30-,31+/m0/s1
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48n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa-opioid receptor expressed in CHO cell membrane for 1 hr by liquid scintillation counting analysis


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50133877
PNG
(CHEMBL3634027)
Show SMILES Cc1cc2CC[C@H](NC(=O)COc3cc(C)c4c(nn(C)c4n3)C3CC3)c2cn1
Show InChI InChI=1S/C22H25N5O2/c1-12-8-19(25-22-20(12)21(14-4-5-14)26-27(22)3)29-11-18(28)24-17-7-6-15-9-13(2)23-10-16(15)17/h8-10,14,17H,4-7,11H2,1-3H3,(H,24,28)/t17-/m0/s1
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93n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.055
BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50133883
PNG
(CHEMBL3634012)
Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1cccnc1
Show InChI InChI=1S/C23H20F3N5O2/c1-14(16-9-6-10-27-12-16)28-18(32)13-33-19-11-17(23(24,25)26)20-21(15-7-4-3-5-8-15)30-31(2)22(20)29-19/h3-12,14H,13H2,1-2H3,(H,28,32)
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582n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.055
BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50133877
PNG
(CHEMBL3634027)
Show SMILES Cc1cc2CC[C@H](NC(=O)COc3cc(C)c4c(nn(C)c4n3)C3CC3)c2cn1
Show InChI InChI=1S/C22H25N5O2/c1-12-8-19(25-22-20(12)21(14-4-5-14)26-27(22)3)29-11-18(28)24-17-7-6-15-9-13(2)23-10-16(15)17/h8-10,14,17H,4-7,11H2,1-3H3,(H,24,28)/t17-/m0/s1
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783n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.055
BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50133883
PNG
(CHEMBL3634012)
Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1cccnc1
Show InChI InChI=1S/C23H20F3N5O2/c1-14(16-9-6-10-27-12-16)28-18(32)13-33-19-11-17(23(24,25)26)20-21(15-7-4-3-5-8-15)30-31(2)22(20)29-19/h3-12,14H,13H2,1-2H3,(H,28,32)
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970n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.055
BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50133872
PNG
(CHEMBL3634016)
Show SMILES C[C@@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C
Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m1/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.055
BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50133872
PNG
(CHEMBL3634016)
Show SMILES C[C@@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C
Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m1/s1
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>4.00E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.055
BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50133897
PNG
(CHEMBL3634267)
Show SMILES Oc1ccc(\C=C2\Cc3ccccc3C2=O)cc1O
Show InChI InChI=1S/C16H12O3/c17-14-6-5-10(8-15(14)18)7-12-9-11-3-1-2-4-13(11)16(12)19/h1-8,17-18H,9H2/b12-7-
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8.70E+3n/an/an/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase polyphenol oxidase activity using L-DOPA as substrate by Dixon plot analysis


Bioorg Med Chem Lett 25: 5495-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.071
BindingDB Entry DOI: 10.7270/Q2N018C4
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50145658
PNG
(CHEMBL3764570)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CCC(CC1)NCC(O)=O)C(F)(F)F
Show InChI InChI=1S/C23H25ClF3N7O3/c1-13-4-9-34(32-13)17-10-14(24)2-3-16(17)21(23(25,26)27)37-19-11-18(30-22(28)31-19)33-7-5-15(6-8-33)29-12-20(35)36/h2-4,9-11,15,21,29H,5-8,12H2,1H3,(H,35,36)(H2,28,30,31)/t21-/m1/s1
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n/an/a 1.51E+3n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 1124-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.064
BindingDB Entry DOI: 10.7270/Q2WD42DJ
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50145655
PNG
(CHEMBL3763681)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cnnc(c1)N1CCC2(CNC(C2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C25H26ClF3N6O3/c1-15-4-7-35(33-15)20-10-16(26)2-3-18(20)22(25(27,28)29)38-17-11-21(32-31-13-17)34-8-5-24(6-9-34)12-19(23(36)37)30-14-24/h2-4,7,10-11,13,19,22,30H,5-6,8-9,12,14H2,1H3,(H,36,37)/t19?,22-/m1/s1
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n/an/a 5.93E+3n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 1124-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.064
BindingDB Entry DOI: 10.7270/Q2WD42DJ
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50145653
PNG
(CHEMBL3764091)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(N)nc(n1)N1CCC2(CNC(C2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C25H27ClF3N7O3/c1-14-4-7-36(34-14)18-10-15(26)2-3-16(18)21(25(27,28)29)39-20-11-19(30)32-23(33-20)35-8-5-24(6-9-35)12-17(22(37)38)31-13-24/h2-4,7,10-11,17,21,31H,5-6,8-9,12-13H2,1H3,(H,37,38)(H2,30,32,33)/t17?,21-/m1/s1
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n/an/a 2.96E+3n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 1124-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.064
BindingDB Entry DOI: 10.7270/Q2WD42DJ
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50145646
PNG
(CHEMBL3763702)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CCC(C)(CC1)NCC(O)=O)C(F)(F)F
Show InChI InChI=1S/C24H27ClF3N7O3/c1-14-5-8-35(33-14)17-11-15(25)3-4-16(17)21(24(26,27)28)38-19-12-18(31-22(29)32-19)34-9-6-23(2,7-10-34)30-13-20(36)37/h3-5,8,11-12,21,30H,6-7,9-10,13H2,1-2H3,(H,36,37)(H2,29,31,32)/t21-/m1/s1
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n/an/a 1.41E+3n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 1124-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.064
BindingDB Entry DOI: 10.7270/Q2WD42DJ
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50145640
PNG
(CHEMBL3764208)
Show SMILES Cc1ccn(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CC2CCC1CN2C[C@H](N)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C25H28ClF3N8O3/c1-13-6-7-37(34-13)19-8-14(26)2-5-17(19)22(25(27,28)29)40-21-9-20(32-24(31)33-21)36-11-15-3-4-16(36)10-35(15)12-18(30)23(38)39/h2,5-9,15-16,18,22H,3-4,10-12,30H2,1H3,(H,38,39)(H2,31,32,33)/t15?,16?,18-,22+/m0/s1
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n/an/a 449n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 1124-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.064
BindingDB Entry DOI: 10.7270/Q2WD42DJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50145632
PNG
(CHEMBL3763862)
Show SMILES O=c1oc2cc(OCCCc3ccccc3)ccc2s1
Show InChI InChI=1S/C16H14O3S/c17-16-19-14-11-13(8-9-15(14)20-16)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2
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n/an/a 33n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B after 20 mins using 50 uM kynuramine as substrate by fluorescence spectrophotometry


Bioorg Med Chem Lett 26: 1200-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.034
BindingDB Entry DOI: 10.7270/Q2154JWF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50145632
PNG
(CHEMBL3763862)
Show SMILES O=c1oc2cc(OCCCc3ccccc3)ccc2s1
Show InChI InChI=1S/C16H14O3S/c17-16-19-14-11-13(8-9-15(14)20-16)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2
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n/an/a 2.13E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A after 20 mins using 50 uM kynuramine as substrate by fluorescence spectrophotometry


Bioorg Med Chem Lett 26: 1200-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.034
BindingDB Entry DOI: 10.7270/Q2154JWF
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50133897
PNG
(CHEMBL3634267)
Show SMILES Oc1ccc(\C=C2\Cc3ccccc3C2=O)cc1O
Show InChI InChI=1S/C16H12O3/c17-14-6-5-10(8-15(14)18)7-12-9-11-3-1-2-4-13(11)16(12)19/h1-8,17-18H,9H2/b12-7-
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n/an/a 8.20E+3n/an/an/an/an/an/a



University of Technology Sydney

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase diphenolase activity using L-DOPA as substrate


Bioorg Med Chem Lett 25: 5495-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.071
BindingDB Entry DOI: 10.7270/Q2N018C4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50133891
PNG
(CHEMBL3634257)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCc4ccccc34)cc12
Show InChI InChI=1S/C30H35N3O2/c1-18-13-23(34)14-19(2)25(18)17-27(31)30(35)33-29-11-12-32-28-10-7-20(16-26(28)29)15-22-9-8-21-5-3-4-6-24(21)22/h3-7,10,13-14,16,22,27,29,32,34H,8-9,11-12,15,17,31H2,1-2H3,(H,33,35)/t22?,27-,29+/m0/s1
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n/an/an/an/a 180n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at human kappa-opioid receptor expressed in CHO cell membrane assessed as [35S]GTPgammaS binding for 1 hr by liquid scintillation co...


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50133884
PNG
(CHEMBL3634251)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCc2ccc(CC3CCCCC3)cc12
Show InChI InChI=1S/C28H38N2O2/c1-18-13-23(31)14-19(2)24(18)17-26(29)28(32)30-27-10-6-9-22-12-11-21(16-25(22)27)15-20-7-4-3-5-8-20/h11-14,16,20,26-27,31H,3-10,15,17,29H2,1-2H3,(H,30,32)/t26-,27+/m0/s1
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n/an/an/an/a 350n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at human kappa-opioid receptor expressed in CHO cell membrane assessed as [35S]GTPgammaS binding for 1 hr by liquid scintillation co...


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50133886
PNG
(CHEMBL3634249)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCCCC3)cc12
Show InChI InChI=1S/C27H37N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h8-9,12-13,15,19,24,26,29,31H,3-7,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26+/m0/s1
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n/an/an/an/a 97n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at human kappa-opioid receptor expressed in CHO cell membrane assessed as [35S]GTPgammaS binding for 1 hr by liquid scintillation co...


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50145679
PNG
(CHEMBL3763552)
Show SMILES OC1CN(C1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H17NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,18H,11-12H2
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n/an/a 2.40E+4n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of pepstatin A from recombinant Plasmodium falciparum plasmepsin 2 by NMR analysis


J Med Chem 59: 374-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01558
BindingDB Entry DOI: 10.7270/Q26975DP
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133896
PNG
(CHEMBL3634252)
Show SMILES CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12
Show InChI InChI=1S/C33H35N3O3/c1-20-14-27(38)15-21(2)28(20)19-30(34)33(39)35-31-12-13-36(22(3)37)32-11-9-24(18-29(31)32)16-23-8-10-25-6-4-5-7-26(25)17-23/h4-11,14-15,17-18,30-31,38H,12-13,16,19,34H2,1-3H3,(H,35,39)/t30-,31+/m0/s1
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n/an/an/an/a 0.930n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat mu-opioid receptor expressed in C6 cell membrane assessed as [35S]GTPgammaS binding for 1 hr by liquid scintillation counting...


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133886
PNG
(CHEMBL3634249)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCCCC3)cc12
Show InChI InChI=1S/C27H37N3O2/c1-17-12-21(31)13-18(2)22(17)16-24(28)27(32)30-26-10-11-29-25-9-8-20(15-23(25)26)14-19-6-4-3-5-7-19/h8-9,12-13,15,19,24,26,29,31H,3-7,10-11,14,16,28H2,1-2H3,(H,30,32)/t24-,26+/m0/s1
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n/an/an/an/a 2.60n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat mu-opioid receptor expressed in C6 cell membrane assessed as [35S]GTPgammaS binding for 1 hr by liquid scintillation counting...


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133891
PNG
(CHEMBL3634257)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(CC3CCc4ccccc34)cc12
Show InChI InChI=1S/C30H35N3O2/c1-18-13-23(34)14-19(2)25(18)17-27(31)30(35)33-29-11-12-32-28-10-7-20(16-26(28)29)15-22-9-8-21-5-3-4-6-24(21)22/h3-7,10,13-14,16,22,27,29,32,34H,8-9,11-12,15,17,31H2,1-2H3,(H,33,35)/t22?,27-,29+/m0/s1
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n/an/an/an/a 9n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat mu-opioid receptor expressed in C6 cell membrane assessed as [35S]GTPgammaS binding for 1 hr by liquid scintillation counting...


J Med Chem 58: 8952-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01270
BindingDB Entry DOI: 10.7270/Q2RR213J
More data for this
Ligand-Target Pair