Found 23 hits with Last Name = 'márki' and Initial = 'a' 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 |
|---|
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50021325
(4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1 | PDB
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PC sid
UniChem
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PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Eur J Pharmacol 383: 209-14 (1999)
Article DOI: 10.1016/s0014-2999(99)00610-x
BindingDB Entry DOI: 10.7270/Q2TT4PJ9 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | 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
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Eur J Pharmacol 383: 209-14 (1999)
Article DOI: 10.1016/s0014-2999(99)00610-x
BindingDB Entry DOI: 10.7270/Q2TT4PJ9 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM21015
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Eur J Pharmacol 383: 209-14 (1999)
Article DOI: 10.1016/s0014-2999(99)00610-x
BindingDB Entry DOI: 10.7270/Q2TT4PJ9 |
More data for this
Ligand-Target Pair | |
Nociceptin 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
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Eur J Pharmacol 383: 209-14 (1999)
Article DOI: 10.1016/s0014-2999(99)00610-x
BindingDB Entry DOI: 10.7270/Q2TT4PJ9 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM21015
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 | PDB
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Eur J Pharmacol 383: 209-14 (1999)
Article DOI: 10.1016/s0014-2999(99)00610-x
BindingDB Entry DOI: 10.7270/Q2TT4PJ9 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50016847
(CHEMBL337041 | Cyprodime)Show SMILES COc1cccc2CC3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |TLB:5:6:22:9.15.14,2:25:22:9.15.14| Show InChI InChI=1S/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19?,21-,22-/m1/s1 | PDB
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| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Eur J Pharmacol 383: 209-14 (1999)
Article DOI: 10.1016/s0014-2999(99)00610-x
BindingDB Entry DOI: 10.7270/Q2TT4PJ9 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50021325
(4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1 | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Eur J Pharmacol 383: 209-14 (1999)
Article DOI: 10.1016/s0014-2999(99)00610-x
BindingDB Entry DOI: 10.7270/Q2TT4PJ9 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(GUINEA PIG) | BDBM50018708
(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O Show InChI InChI=1S/C33H46N6O10/c1-18(2)13-24(32(47)39-28(19(3)41)33(48)49)37-31(46)25(15-20-7-5-4-6-8-20)36-27(43)16-35-30(45)26(17-40)38-29(44)23(34)14-21-9-11-22(42)12-10-21/h4-12,18-19,23-26,28,40-42H,13-17,34H2,1-3H3,(H,35,45)(H,36,43)(H,37,46)(H,38,44)(H,39,47)(H,48,49)/t19-,23+,24+,25+,26-,28+/m1/s1 | PDB
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| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Eur J Pharmacol 383: 209-14 (1999)
Article DOI: 10.1016/s0014-2999(99)00610-x
BindingDB Entry DOI: 10.7270/Q2TT4PJ9 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50016847
(CHEMBL337041 | Cyprodime)Show SMILES COc1cccc2CC3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |TLB:5:6:22:9.15.14,2:25:22:9.15.14| Show InChI InChI=1S/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19?,21-,22-/m1/s1 | PDB
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UniChem
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| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Eur J Pharmacol 383: 209-14 (1999)
Article DOI: 10.1016/s0014-2999(99)00610-x
BindingDB Entry DOI: 10.7270/Q2TT4PJ9 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50018708
(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O Show InChI InChI=1S/C33H46N6O10/c1-18(2)13-24(32(47)39-28(19(3)41)33(48)49)37-31(46)25(15-20-7-5-4-6-8-20)36-27(43)16-35-30(45)26(17-40)38-29(44)23(34)14-21-9-11-22(42)12-10-21/h4-12,18-19,23-26,28,40-42H,13-17,34H2,1-3H3,(H,35,45)(H,36,43)(H,37,46)(H,38,44)(H,39,47)(H,48,49)/t19-,23+,24+,25+,26-,28+/m1/s1 | PDB
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| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Eur J Pharmacol 383: 209-14 (1999)
Article DOI: 10.1016/s0014-2999(99)00610-x
BindingDB Entry DOI: 10.7270/Q2TT4PJ9 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50016847
(CHEMBL337041 | Cyprodime)Show SMILES COc1cccc2CC3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |TLB:5:6:22:9.15.14,2:25:22:9.15.14| Show InChI InChI=1S/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19?,21-,22-/m1/s1 | PDB
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PubMed
| 26.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Eur J Pharmacol 383: 209-14 (1999)
Article DOI: 10.1016/s0014-2999(99)00610-x
BindingDB Entry DOI: 10.7270/Q2TT4PJ9 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50346948
(CHEMBL1795717 | CTAP-NH2)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O |r,wU:52.62,62.66,7.6,1.1,71.77,26.26,wD:3.3,11.75,15.15,40.42,(15.53,-44.79,;14.2,-44.02,;12.86,-44.79,;14.2,-42.47,;12.86,-41.71,;11.53,-42.47,;11.53,-44.02,;10.19,-41.71,;8.86,-42.47,;7.52,-41.71,;7.52,-40.16,;6.19,-42.47,;4.85,-41.71,;3.52,-42.47,;3.52,-44.02,;2.18,-41.71,;.85,-42.47,;-.49,-41.71,;-1.82,-42.47,;-3.16,-41.71,;-4.49,-42.47,;-5.82,-41.71,;-4.49,-44.02,;2.18,-40.16,;.85,-39.4,;-.49,-40.16,;.85,-37.85,;-.49,-37.09,;-1.82,-37.85,;-1.98,-39.4,;-3.49,-39.72,;-4.26,-38.38,;-5.76,-38.06,;-6.24,-36.61,;-5.2,-35.46,;-3.7,-35.78,;-3.23,-37.24,;2.18,-37.09,;2.18,-35.54,;.85,-34.77,;3.52,-34.77,;3.52,-33.23,;2.18,-32.46,;2.19,-30.92,;.85,-30.15,;-.48,-30.92,;-1.81,-30.15,;-.47,-32.47,;.86,-33.23,;4.85,-35.54,;6.19,-34.77,;6.19,-33.23,;7.52,-35.54,;7.52,-37.09,;8.86,-37.85,;8.86,-39.4,;10.19,-40.16,;10.95,-38.82,;11.66,-40.17,;8.86,-34.77,;10.19,-35.54,;10.19,-37.09,;11.53,-34.77,;12.86,-35.54,;11.53,-33.23,;12.86,-32.46,;14.19,-33.24,;15.52,-32.47,;15.52,-30.93,;14.18,-30.16,;12.86,-30.93,;6.19,-44.02,;7.52,-44.79,;4.85,-44.79,;15.53,-41.71,;16.87,-42.47,;15.53,-40.16,)| Show InChI InChI=1S/C51H69N13O11S2/c1-26(65)39(42(53)68)62-49(75)41-51(3,4)77-76-25-38(61-43(69)33(52)21-28-11-6-5-7-12-28)47(73)59-36(22-29-16-18-31(67)19-17-29)45(71)60-37(23-30-24-57-34-14-9-8-13-32(30)34)46(72)58-35(15-10-20-56-50(54)55)44(70)63-40(27(2)66)48(74)64-41/h5-9,11-14,16-19,24,26-27,33,35-41,57,65-67H,10,15,20-23,25,52H2,1-4H3,(H2,53,68)(H,58,72)(H,59,73)(H,60,71)(H,61,69)(H,62,75)(H,63,70)(H,64,74)(H4,54,55,56)/t26-,27-,33-,35+,36+,37-,38+,39+,40+,41-/m1/s1 | PDB
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| 43.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Eur J Pharmacol 383: 209-14 (1999)
Article DOI: 10.1016/s0014-2999(99)00610-x
BindingDB Entry DOI: 10.7270/Q2TT4PJ9 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50346948
(CHEMBL1795717 | CTAP-NH2)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O |r,wU:52.62,62.66,7.6,1.1,71.77,26.26,wD:3.3,11.75,15.15,40.42,(15.53,-44.79,;14.2,-44.02,;12.86,-44.79,;14.2,-42.47,;12.86,-41.71,;11.53,-42.47,;11.53,-44.02,;10.19,-41.71,;8.86,-42.47,;7.52,-41.71,;7.52,-40.16,;6.19,-42.47,;4.85,-41.71,;3.52,-42.47,;3.52,-44.02,;2.18,-41.71,;.85,-42.47,;-.49,-41.71,;-1.82,-42.47,;-3.16,-41.71,;-4.49,-42.47,;-5.82,-41.71,;-4.49,-44.02,;2.18,-40.16,;.85,-39.4,;-.49,-40.16,;.85,-37.85,;-.49,-37.09,;-1.82,-37.85,;-1.98,-39.4,;-3.49,-39.72,;-4.26,-38.38,;-5.76,-38.06,;-6.24,-36.61,;-5.2,-35.46,;-3.7,-35.78,;-3.23,-37.24,;2.18,-37.09,;2.18,-35.54,;.85,-34.77,;3.52,-34.77,;3.52,-33.23,;2.18,-32.46,;2.19,-30.92,;.85,-30.15,;-.48,-30.92,;-1.81,-30.15,;-.47,-32.47,;.86,-33.23,;4.85,-35.54,;6.19,-34.77,;6.19,-33.23,;7.52,-35.54,;7.52,-37.09,;8.86,-37.85,;8.86,-39.4,;10.19,-40.16,;10.95,-38.82,;11.66,-40.17,;8.86,-34.77,;10.19,-35.54,;10.19,-37.09,;11.53,-34.77,;12.86,-35.54,;11.53,-33.23,;12.86,-32.46,;14.19,-33.24,;15.52,-32.47,;15.52,-30.93,;14.18,-30.16,;12.86,-30.93,;6.19,-44.02,;7.52,-44.79,;4.85,-44.79,;15.53,-41.71,;16.87,-42.47,;15.53,-40.16,)| Show InChI InChI=1S/C51H69N13O11S2/c1-26(65)39(42(53)68)62-49(75)41-51(3,4)77-76-25-38(61-43(69)33(52)21-28-11-6-5-7-12-28)47(73)59-36(22-29-16-18-31(67)19-17-29)45(71)60-37(23-30-24-57-34-14-9-8-13-32(30)34)46(72)58-35(15-10-20-56-50(54)55)44(70)63-40(27(2)66)48(74)64-41/h5-9,11-14,16-19,24,26-27,33,35-41,57,65-67H,10,15,20-23,25,52H2,1-4H3,(H2,53,68)(H,58,72)(H,59,73)(H,60,71)(H,61,69)(H,62,75)(H,63,70)(H,64,74)(H4,54,55,56)/t26-,27-,33-,35+,36+,37-,38+,39+,40+,41-/m1/s1 | PDB
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| 48.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Eur J Pharmacol 383: 209-14 (1999)
Article DOI: 10.1016/s0014-2999(99)00610-x
BindingDB Entry DOI: 10.7270/Q2TT4PJ9 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM81935
(CAS_105618-26-6 | NSC_3034416 | Nor-BNI)Show SMILES Oc1ccc2CC(C3CC3)N3CCC45C(Oc1c24)c1[nH]c2C4Oc6c7c(CC(C8CC8)N8CCC47C(O)(C8)Cc2c1CC5(O)C3)ccc6O |TLB:7:6:12.11:44.42,43:42:6.5.4.17:12.11,28:27:35.37:32.33,THB:23:24:35.37:32.33,45:25:35.37:32.33,41:42:6.5.4.17:12.11,16:17:12.11:44.42,3:4:12.11:44.42,36:35:32.33:25.24.26.27| Show InChI InChI=1S/C40H43N3O6/c44-27-7-5-21-13-25(19-1-2-19)42-11-9-39-29(21)33(27)48-35(39)31-23(15-37(39,46)17-42)24-16-38(47)18-43-12-10-40(38)30-22(14-26(43)20-3-4-20)6-8-28(45)34(30)49-36(40)32(24)41-31/h5-8,19-20,25-26,35-36,41,44-47H,1-4,9-18H2 | PDB
Reactome pathway
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| 172 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Eur J Pharmacol 383: 209-14 (1999)
Article DOI: 10.1016/s0014-2999(99)00610-x
BindingDB Entry DOI: 10.7270/Q2TT4PJ9 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50169774
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...)Show SMILES CN(C1CCCC[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 | PDB
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| 288 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Eur J Pharmacol 383: 209-14 (1999)
Article DOI: 10.1016/s0014-2999(99)00610-x
BindingDB Entry DOI: 10.7270/Q2TT4PJ9 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50169774
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...)Show SMILES CN(C1CCCC[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 | PDB
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| 304 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Eur J Pharmacol 383: 209-14 (1999)
Article DOI: 10.1016/s0014-2999(99)00610-x
BindingDB Entry DOI: 10.7270/Q2TT4PJ9 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM81935
(CAS_105618-26-6 | NSC_3034416 | Nor-BNI)Show SMILES Oc1ccc2CC(C3CC3)N3CCC45C(Oc1c24)c1[nH]c2C4Oc6c7c(CC(C8CC8)N8CCC47C(O)(C8)Cc2c1CC5(O)C3)ccc6O |TLB:7:6:12.11:44.42,43:42:6.5.4.17:12.11,28:27:35.37:32.33,THB:23:24:35.37:32.33,45:25:35.37:32.33,41:42:6.5.4.17:12.11,16:17:12.11:44.42,3:4:12.11:44.42,36:35:32.33:25.24.26.27| Show InChI InChI=1S/C40H43N3O6/c44-27-7-5-21-13-25(19-1-2-19)42-11-9-39-29(21)33(27)48-35(39)31-23(15-37(39,46)17-42)24-16-38(47)18-43-12-10-40(38)30-22(14-26(43)20-3-4-20)6-8-28(45)34(30)49-36(40)32(24)41-31/h5-8,19-20,25-26,35-36,41,44-47H,1-4,9-18H2 | PDB
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| 770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Eur J Pharmacol 383: 209-14 (1999)
Article DOI: 10.1016/s0014-2999(99)00610-x
BindingDB Entry DOI: 10.7270/Q2TT4PJ9 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50000507
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1 | PDB
Reactome pathway
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| 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Eur J Pharmacol 383: 209-14 (1999)
Article DOI: 10.1016/s0014-2999(99)00610-x
BindingDB Entry DOI: 10.7270/Q2TT4PJ9 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50057010
((S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O Show InChI InChI=1S/C40H58N8O10/c1-6-22(3)33(39(57)43-21-31(42)50)48-40(58)34(23(4)7-2)47-37(55)29(17-18-32(51)52)45-38(56)30(20-25-11-9-8-10-12-25)46-35(53)24(5)44-36(54)28(41)19-26-13-15-27(49)16-14-26/h8-16,22-24,28-30,33-34,49H,6-7,17-21,41H2,1-5H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t22-,23-,24+,28-,29-,30-,33-,34-/m0/s1 | PDB
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| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Eur J Pharmacol 383: 209-14 (1999)
Article DOI: 10.1016/s0014-2999(99)00610-x
BindingDB Entry DOI: 10.7270/Q2TT4PJ9 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50016847
(CHEMBL337041 | Cyprodime)Show SMILES COc1cccc2CC3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |TLB:5:6:22:9.15.14,2:25:22:9.15.14| Show InChI InChI=1S/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19?,21-,22-/m1/s1 | PDB
Reactome pathway
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| 2.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Eur J Pharmacol 383: 209-14 (1999)
Article DOI: 10.1016/s0014-2999(99)00610-x
BindingDB Entry DOI: 10.7270/Q2TT4PJ9 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50041958
(2-(1-{2-[2-amino-3-(4-hydroxyphenyl)propanoyl]-1,2...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C37H38N4O6/c38-30(19-26-15-17-29(42)18-16-26)36(45)41-23-28-14-8-7-13-27(28)22-33(41)35(44)39-31(20-24-9-3-1-4-10-24)34(43)40-32(37(46)47)21-25-11-5-2-6-12-25/h1-18,30-33,42H,19-23,38H2,(H,39,44)(H,40,43)(H,46,47)/t30-,31-,32-,33?/m0/s1 | PDB
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| 2.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Eur J Pharmacol 383: 209-14 (1999)
Article DOI: 10.1016/s0014-2999(99)00610-x
BindingDB Entry DOI: 10.7270/Q2TT4PJ9 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(GUINEA PIG) | BDBM50000507
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1 | PDB
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| 2.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Eur J Pharmacol 383: 209-14 (1999)
Article DOI: 10.1016/s0014-2999(99)00610-x
BindingDB Entry DOI: 10.7270/Q2TT4PJ9 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(GUINEA PIG) | BDBM50041958
(2-(1-{2-[2-amino-3-(4-hydroxyphenyl)propanoyl]-1,2...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C37H38N4O6/c38-30(19-26-15-17-29(42)18-16-26)36(45)41-23-28-14-8-7-13-27(28)22-33(41)35(44)39-31(20-24-9-3-1-4-10-24)34(43)40-32(37(46)47)21-25-11-5-2-6-12-25/h1-18,30-33,42H,19-23,38H2,(H,39,44)(H,40,43)(H,46,47)/t30-,31-,32-,33?/m0/s1 | PDB
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| 7.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences
Curated by PDSP Ki Database
| |
Eur J Pharmacol 383: 209-14 (1999)
Article DOI: 10.1016/s0014-2999(99)00610-x
BindingDB Entry DOI: 10.7270/Q2TT4PJ9 |
More data for this
Ligand-Target Pair | |
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