Found 5 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50346948' 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
(Homo sapiens (Human)) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Displacement of [125I]-IBOxyA from MOR-1 expressed in CHO cells |
Bioorg Med Chem Lett 21: 4001-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.008
BindingDB Entry DOI: 10.7270/Q29C6ZDF |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Displacement of [125I]-IBNtxA from MOR-1 expressed in CHO cells |
Bioorg Med Chem Lett 21: 4001-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.008
BindingDB Entry DOI: 10.7270/Q29C6ZDF |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | 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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by ChEMBL
| Assay Description
Displacement of [125I]-IBNalA from MOR-1 expressed in CHO cells |
Bioorg Med Chem Lett 21: 4001-4 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.008
BindingDB Entry DOI: 10.7270/Q29C6ZDF |
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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
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CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
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