Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50040188' 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)) | BDBM50040188
((cis)Tyr-1-Amino-CycloHexylcarbonyl-Phe-Leu-Arg-Ar...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCC(CC1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O |wU:4.4,98.101,106.109,38.38,19.19,wD:85.89,71.73,89.92,30.30,58.61,8.8,2.2,(17.35,.41,;17.35,-.83,;18.68,-1.6,;19.75,-.98,;18.68,-3.14,;17.34,-3.9,;16.01,-3.13,;16.01,-1.9,;14.67,-3.89,;14.66,-5.43,;13.33,-6.2,;13.32,-7.74,;11.98,-8.5,;11.97,-10.04,;10.9,-10.66,;13.03,-10.66,;13.34,-3.12,;12,-3.88,;12,-5.12,;10.67,-3.11,;10.67,-1.57,;9.34,-.8,;9.34,.74,;8.01,1.52,;8.01,3.06,;6.95,3.68,;9.08,3.67,;9.33,-3.88,;8,-3.1,;8,-1.87,;6.66,-3.87,;6.66,-5.41,;5.32,-6.17,;4.25,-5.55,;5.31,-7.4,;5.33,-3.09,;4,-3.86,;3.99,-5.09,;2.66,-3.08,;2.67,-1.54,;4,-.77,;4,.77,;5.34,1.54,;6.67,.76,;6.66,-.78,;5.33,-1.54,;1.33,-3.85,;-.01,-3.07,;-0,-1.84,;-1.34,-3.84,;-2.68,-3.07,;-4.01,-3.83,;-4.01,-5.37,;-2.68,-6.15,;-1.35,-5.38,;-5.35,-6.14,;-5.35,-7.69,;-4.28,-8.3,;-6.68,-8.46,;-7.75,-7.84,;-6.68,-10,;-8.01,-10.77,;-8.02,-12.31,;-9.35,-13.08,;-10.69,-12.3,;-11.75,-12.92,;-10.68,-10.76,;-9.35,-10,;20.01,-3.91,;20.01,-5.15,;21.35,-3.15,;22.68,-3.92,;22.67,-5.46,;21.33,-6.22,;21.32,-7.77,;19.99,-8.53,;19.98,-10.07,;18.91,-10.68,;21.04,-10.69,;24.02,-3.16,;24.02,-1.92,;25.35,-3.93,;25.48,-5.45,;26.99,-5.78,;27.76,-4.45,;26.74,-3.3,;27.05,-1.8,;28.22,-1.41,;25.9,-.77,;26.22,.74,;27.68,1.22,;28.83,.19,;30.3,.67,;31.44,-.36,;32.61,.03,;25.07,1.77,;23.9,1.38,;25.38,3.28,;24.23,4.3,;22.77,3.82,;22.46,2.31,;21.29,1.92,;23.38,1.49,;24.55,5.8,;25.71,6.19,;23.4,6.83,;23.71,8.34,;22.56,9.37,;22.87,10.88,;21.73,11.91,;22.04,13.41,;21.12,14.23,;25.17,8.83,;26.09,8.01,;25.42,10.04,)| Show InChI InChI=1S/C78H132N24O13/c1-7-47(6)63(74(114)97-58(25-17-39-91-78(87)88)75(115)102-40-18-26-62(102)73(113)96-55(22-12-14-36-80)68(108)99-59(41-45(2)3)70(110)93-54(64(82)104)21-11-13-35-79)101-69(109)57(24-16-38-90-77(85)86)94-67(107)56(23-15-37-89-76(83)84)95-71(111)60(42-46(4)5)100-72(112)61(44-48-19-9-8-10-20-48)98-65(105)50-29-31-51(32-30-50)92-66(106)53(81)43-49-27-33-52(103)34-28-49/h8-10,19-20,27-28,33-34,45-47,50-51,53-63,103H,7,11-18,21-26,29-32,35-44,79-81H2,1-6H3,(H2,82,104)(H,92,106)(H,93,110)(H,94,107)(H,95,111)(H,96,113)(H,97,114)(H,98,105)(H,99,108)(H,100,112)(H,101,109)(H4,83,84,89)(H4,85,86,90)(H4,87,88,91)/t47-,50?,51?,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity towards kappa opioid receptor in guinea pig cerebellar membrane using [3H]-bremazocine |
J Med Chem 36: 1100-3 (1993)
BindingDB Entry DOI: 10.7270/Q2639NS3 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50040188
((cis)Tyr-1-Amino-CycloHexylcarbonyl-Phe-Leu-Arg-Ar...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCC(CC1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O |wU:4.4,98.101,106.109,38.38,19.19,wD:85.89,71.73,89.92,30.30,58.61,8.8,2.2,(17.35,.41,;17.35,-.83,;18.68,-1.6,;19.75,-.98,;18.68,-3.14,;17.34,-3.9,;16.01,-3.13,;16.01,-1.9,;14.67,-3.89,;14.66,-5.43,;13.33,-6.2,;13.32,-7.74,;11.98,-8.5,;11.97,-10.04,;10.9,-10.66,;13.03,-10.66,;13.34,-3.12,;12,-3.88,;12,-5.12,;10.67,-3.11,;10.67,-1.57,;9.34,-.8,;9.34,.74,;8.01,1.52,;8.01,3.06,;6.95,3.68,;9.08,3.67,;9.33,-3.88,;8,-3.1,;8,-1.87,;6.66,-3.87,;6.66,-5.41,;5.32,-6.17,;4.25,-5.55,;5.31,-7.4,;5.33,-3.09,;4,-3.86,;3.99,-5.09,;2.66,-3.08,;2.67,-1.54,;4,-.77,;4,.77,;5.34,1.54,;6.67,.76,;6.66,-.78,;5.33,-1.54,;1.33,-3.85,;-.01,-3.07,;-0,-1.84,;-1.34,-3.84,;-2.68,-3.07,;-4.01,-3.83,;-4.01,-5.37,;-2.68,-6.15,;-1.35,-5.38,;-5.35,-6.14,;-5.35,-7.69,;-4.28,-8.3,;-6.68,-8.46,;-7.75,-7.84,;-6.68,-10,;-8.01,-10.77,;-8.02,-12.31,;-9.35,-13.08,;-10.69,-12.3,;-11.75,-12.92,;-10.68,-10.76,;-9.35,-10,;20.01,-3.91,;20.01,-5.15,;21.35,-3.15,;22.68,-3.92,;22.67,-5.46,;21.33,-6.22,;21.32,-7.77,;19.99,-8.53,;19.98,-10.07,;18.91,-10.68,;21.04,-10.69,;24.02,-3.16,;24.02,-1.92,;25.35,-3.93,;25.48,-5.45,;26.99,-5.78,;27.76,-4.45,;26.74,-3.3,;27.05,-1.8,;28.22,-1.41,;25.9,-.77,;26.22,.74,;27.68,1.22,;28.83,.19,;30.3,.67,;31.44,-.36,;32.61,.03,;25.07,1.77,;23.9,1.38,;25.38,3.28,;24.23,4.3,;22.77,3.82,;22.46,2.31,;21.29,1.92,;23.38,1.49,;24.55,5.8,;25.71,6.19,;23.4,6.83,;23.71,8.34,;22.56,9.37,;22.87,10.88,;21.73,11.91,;22.04,13.41,;21.12,14.23,;25.17,8.83,;26.09,8.01,;25.42,10.04,)| Show InChI InChI=1S/C78H132N24O13/c1-7-47(6)63(74(114)97-58(25-17-39-91-78(87)88)75(115)102-40-18-26-62(102)73(113)96-55(22-12-14-36-80)68(108)99-59(41-45(2)3)70(110)93-54(64(82)104)21-11-13-35-79)101-69(109)57(24-16-38-90-77(85)86)94-67(107)56(23-15-37-89-76(83)84)95-71(111)60(42-46(4)5)100-72(112)61(44-48-19-9-8-10-20-48)98-65(105)50-29-31-51(32-30-50)92-66(106)53(81)43-49-27-33-52(103)34-28-49/h8-10,19-20,27-28,33-34,45-47,50-51,53-63,103H,7,11-18,21-26,29-32,35-44,79-81H2,1-6H3,(H2,82,104)(H,92,106)(H,93,110)(H,94,107)(H,95,111)(H,96,113)(H,97,114)(H,98,105)(H,99,108)(H,100,112)(H,101,109)(H4,83,84,89)(H4,85,86,90)(H4,87,88,91)/t47-,50?,51?,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity towards kappa opioid receptor in guinea pig cerebellar membrane using [3H]-bremazocine |
J Med Chem 36: 1100-3 (1993)
BindingDB Entry DOI: 10.7270/Q2639NS3 |
More data for this
Ligand-Target Pair | |
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