Found 679 hits with Last Name = 'joshi' and Initial = 'aa' 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 |
|---|
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50485121
(CHEMBL2030954)Show SMILES COC(=O)N[C@H](C(=O)NN(CC[C@]1(Cc2ccccc2)[C@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(cc1)-c1ccncc1)C(C)(C)C |r| Show InChI InChI=1S/C42H49N5O6/c1-41(2,3)37(44-40(52)53-4)38(50)45-46(26-29-14-16-30(17-15-29)31-18-21-43-22-19-31)23-20-42(25-28-10-6-5-7-11-28)35(49)27-47(39(42)51)36-33-13-9-8-12-32(33)24-34(36)48/h5-19,21-22,34-37,48-49H,20,23-27H2,1-4H3,(H,44,52)(H,45,50)/t34-,35-,36+,37-,42+/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... |
J Med Chem 55: 2724-36 (2012)
Article DOI: 10.1021/jm201620t
BindingDB Entry DOI: 10.7270/Q2C25086 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50485126
(CHEMBL2030953)Show SMILES COC(=O)N[C@H](C(=O)NN(CC[C@]1(Cc2ccccc2)[C@@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(cc1)-c1cccnc1)C(C)(C)C |r| Show InChI InChI=1S/C42H49N5O6/c1-41(2,3)37(44-40(52)53-4)38(50)45-46(26-29-16-18-30(19-17-29)32-14-10-21-43-25-32)22-20-42(24-28-11-6-5-7-12-28)35(49)27-47(39(42)51)36-33-15-9-8-13-31(33)23-34(36)48/h5-19,21,25,34-37,48-49H,20,22-24,26-27H2,1-4H3,(H,44,52)(H,45,50)/t34-,35+,36+,37-,42+/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... |
J Med Chem 55: 2724-36 (2012)
Article DOI: 10.1021/jm201620t
BindingDB Entry DOI: 10.7270/Q2C25086 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50485120
(CHEMBL2030952)Show SMILES COC(=O)N[C@H](C(=O)NN(CC[C@]1(Cc2ccccc2)[C@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(cc1)-c1cccnc1)C(C)(C)C |r| Show InChI InChI=1S/C42H49N5O6/c1-41(2,3)37(44-40(52)53-4)38(50)45-46(26-29-16-18-30(19-17-29)32-14-10-21-43-25-32)22-20-42(24-28-11-6-5-7-12-28)35(49)27-47(39(42)51)36-33-15-9-8-13-31(33)23-34(36)48/h5-19,21,25,34-37,48-49H,20,22-24,26-27H2,1-4H3,(H,44,52)(H,45,50)/t34-,35-,36+,37-,42+/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... |
J Med Chem 55: 2724-36 (2012)
Article DOI: 10.1021/jm201620t
BindingDB Entry DOI: 10.7270/Q2C25086 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50485130
(CHEMBL2031103)Show SMILES COC(=O)N[C@H](C(=O)NN(CCC1(Cc2ccccc2)C(O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(cc1)-c1ccncc1)C(C)(C)C |r| Show InChI InChI=1S/C42H49N5O6/c1-41(2,3)37(44-40(52)53-4)38(50)45-46(26-29-14-16-30(17-15-29)31-18-21-43-22-19-31)23-20-42(25-28-10-6-5-7-11-28)35(49)27-47(39(42)51)36-33-13-9-8-12-32(33)24-34(36)48/h5-19,21-22,34-37,48-49H,20,23-27H2,1-4H3,(H,44,52)(H,45,50)/t34-,35?,36+,37-,42?/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... |
J Med Chem 55: 2724-36 (2012)
Article DOI: 10.1021/jm201620t
BindingDB Entry DOI: 10.7270/Q2C25086 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50485118
(CHEMBL2030950)Show SMILES COC(=O)N[C@H](C(=O)NN(CC[C@]1(Cc2ccccc2)[C@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(cc1)-c1ccccn1)C(C)(C)C |r| Show InChI InChI=1S/C42H49N5O6/c1-41(2,3)37(44-40(52)53-4)38(50)45-46(26-29-17-19-30(20-18-29)33-16-10-11-22-43-33)23-21-42(25-28-12-6-5-7-13-28)35(49)27-47(39(42)51)36-32-15-9-8-14-31(32)24-34(36)48/h5-20,22,34-37,48-49H,21,23-27H2,1-4H3,(H,44,52)(H,45,50)/t34-,35-,36+,37-,42+/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... |
J Med Chem 55: 2724-36 (2012)
Article DOI: 10.1021/jm201620t
BindingDB Entry DOI: 10.7270/Q2C25086 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50485122
(CHEMBL2030955)Show SMILES COC(=O)N[C@H](C(=O)NN(CC[C@]1(Cc2ccccc2)[C@@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(cc1)-c1ccncc1)C(C)(C)C |r| Show InChI InChI=1S/C42H49N5O6/c1-41(2,3)37(44-40(52)53-4)38(50)45-46(26-29-14-16-30(17-15-29)31-18-21-43-22-19-31)23-20-42(25-28-10-6-5-7-11-28)35(49)27-47(39(42)51)36-33-13-9-8-12-32(33)24-34(36)48/h5-19,21-22,34-37,48-49H,20,23-27H2,1-4H3,(H,44,52)(H,45,50)/t34-,35+,36+,37-,42+/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... |
J Med Chem 55: 2724-36 (2012)
Article DOI: 10.1021/jm201620t
BindingDB Entry DOI: 10.7270/Q2C25086 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50485119
(CHEMBL2030951)Show SMILES COC(=O)N[C@H](C(=O)NN(CC[C@]1(Cc2ccccc2)[C@@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(cc1)-c1ccccn1)C(C)(C)C |r| Show InChI InChI=1S/C42H49N5O6/c1-41(2,3)37(44-40(52)53-4)38(50)45-46(26-29-17-19-30(20-18-29)33-16-10-11-22-43-33)23-21-42(25-28-12-6-5-7-13-28)35(49)27-47(39(42)51)36-32-15-9-8-14-31(32)24-34(36)48/h5-20,22,34-37,48-49H,21,23-27H2,1-4H3,(H,44,52)(H,45,50)/t34-,35+,36+,37-,42+/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... |
J Med Chem 55: 2724-36 (2012)
Article DOI: 10.1021/jm201620t
BindingDB Entry DOI: 10.7270/Q2C25086 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50485116
(CHEMBL2030946)Show SMILES COC(=O)N[C@H](C(=O)NN(CC[C@]1(Cc2ccccc2)[C@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(Br)cc1)C(C)(C)C |r| Show InChI InChI=1S/C37H45BrN4O6/c1-36(2,3)32(39-35(47)48-4)33(45)40-41(22-25-14-16-27(38)17-15-25)19-18-37(21-24-10-6-5-7-11-24)30(44)23-42(34(37)46)31-28-13-9-8-12-26(28)20-29(31)43/h5-17,29-32,43-44H,18-23H2,1-4H3,(H,39,47)(H,40,45)/t29-,30-,31+,32-,37+/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... |
J Med Chem 55: 2724-36 (2012)
Article DOI: 10.1021/jm201620t
BindingDB Entry DOI: 10.7270/Q2C25086 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM13934
(Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...)Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... |
J Med Chem 55: 2724-36 (2012)
Article DOI: 10.1021/jm201620t
BindingDB Entry DOI: 10.7270/Q2C25086 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50485131
(CHEMBL2031101)Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@]1(Cc2ccccc2)[C@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(cc1)-c1ccncc1)C(C)(C)C |r| Show InChI InChI=1S/C43H51N5O6/c1-42(2,3)38(45-41(53)54-4)39(51)46-47(27-30-15-17-31(18-16-30)32-19-22-44-23-20-32)24-10-21-43(26-29-11-6-5-7-12-29)36(50)28-48(40(43)52)37-34-14-9-8-13-33(34)25-35(37)49/h5-9,11-20,22-23,35-38,49-50H,10,21,24-28H2,1-4H3,(H,45,53)(H,46,51)/t35-,36-,37+,38-,43+/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... |
J Med Chem 55: 2724-36 (2012)
Article DOI: 10.1021/jm201620t
BindingDB Entry DOI: 10.7270/Q2C25086 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50485124
(CHEMBL2031100)Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@]1(Cc2ccccc2)[C@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(cc1)-c1cccnc1)C(C)(C)C |r| Show InChI InChI=1S/C43H51N5O6/c1-42(2,3)38(45-41(53)54-4)39(51)46-47(27-30-17-19-31(20-18-30)33-15-10-22-44-26-33)23-11-21-43(25-29-12-6-5-7-13-29)36(50)28-48(40(43)52)37-34-16-9-8-14-32(34)24-35(37)49/h5-10,12-20,22,26,35-38,49-50H,11,21,23-25,27-28H2,1-4H3,(H,45,53)(H,46,51)/t35-,36-,37+,38-,43+/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... |
J Med Chem 55: 2724-36 (2012)
Article DOI: 10.1021/jm201620t
BindingDB Entry DOI: 10.7270/Q2C25086 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50485114
(CHEMBL2031102)Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@]1(Cc2ccccc2)[C@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(cc1)-c1ccccn1)C(C)(C)C |r| Show InChI InChI=1S/C43H51N5O6/c1-42(2,3)38(45-41(53)54-4)39(51)46-47(27-30-18-20-31(21-19-30)34-17-10-11-23-44-34)24-12-22-43(26-29-13-6-5-7-14-29)36(50)28-48(40(43)52)37-33-16-9-8-15-32(33)25-35(37)49/h5-11,13-21,23,35-38,49-50H,12,22,24-28H2,1-4H3,(H,45,53)(H,46,51)/t35-,36-,37+,38-,43+/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... |
J Med Chem 55: 2724-36 (2012)
Article DOI: 10.1021/jm201620t
BindingDB Entry DOI: 10.7270/Q2C25086 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50485129
(CHEMBL2030949)Show SMILES COC(=O)N[C@H](C(=O)NN(CC[C@]1(Cc2ccccc2)[C@@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(Br)cc1)C(C)(C)C |r| Show InChI InChI=1S/C37H45BrN4O6/c1-36(2,3)32(39-35(47)48-4)33(45)40-41(22-25-14-16-27(38)17-15-25)19-18-37(21-24-10-6-5-7-11-24)30(44)23-42(34(37)46)31-28-13-9-8-12-26(28)20-29(31)43/h5-17,29-32,43-44H,18-23H2,1-4H3,(H,39,47)(H,40,45)/t29-,30+,31+,32-,37+/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... |
J Med Chem 55: 2724-36 (2012)
Article DOI: 10.1021/jm201620t
BindingDB Entry DOI: 10.7270/Q2C25086 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50485123
(CHEMBL2031099)Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@]1(Cc2ccccc2)[C@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(cc1)-c1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C44H52N4O6/c1-43(2,3)39(45-42(53)54-4)40(51)46-47(28-31-20-22-33(23-21-31)32-16-9-6-10-17-32)25-13-24-44(27-30-14-7-5-8-15-30)37(50)29-48(41(44)52)38-35-19-12-11-18-34(35)26-36(38)49/h5-12,14-23,36-39,49-50H,13,24-29H2,1-4H3,(H,45,53)(H,46,51)/t36-,37-,38+,39-,44+/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... |
J Med Chem 55: 2724-36 (2012)
Article DOI: 10.1021/jm201620t
BindingDB Entry DOI: 10.7270/Q2C25086 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50485128
(CHEMBL2030956)Show SMILES COC(=O)N[C@H](C(=O)NN(CCC[C@]1(Cc2ccccc2)[C@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(Br)cc1)C(C)(C)C |r| Show InChI InChI=1S/C38H47BrN4O6/c1-37(2,3)33(40-36(48)49-4)34(46)41-42(23-26-15-17-28(39)18-16-26)20-10-19-38(22-25-11-6-5-7-12-25)31(45)24-43(35(38)47)32-29-14-9-8-13-27(29)21-30(32)44/h5-9,11-18,30-33,44-45H,10,19-24H2,1-4H3,(H,40,48)(H,41,46)/t30-,31-,32+,33-,38+/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... |
J Med Chem 55: 2724-36 (2012)
Article DOI: 10.1021/jm201620t
BindingDB Entry DOI: 10.7270/Q2C25086 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133217
(CHEMBL3634917)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C69H107N23O13/c1-41(2)34-52(91-63(102)53(36-43-16-6-4-7-17-43)86-57(96)40-82-56(95)39-84-60(99)51(35-44-25-27-46(94)28-26-44)81-37-45-18-8-5-9-19-45)62(101)89-49(22-13-31-79-68(74)75)61(100)88-48(21-12-30-78-67(72)73)59(98)83-38-54(85-42(3)93)64(103)90-50(23-14-32-80-69(76)77)66(105)92-33-15-24-55(92)65(104)87-47(58(71)97)20-10-11-29-70/h4-9,16-19,25-28,41,47-55,81,94H,10-15,20-24,29-40,70H2,1-3H3,(H2,71,97)(H,82,95)(H,83,98)(H,84,99)(H,85,93)(H,86,96)(H,87,104)(H,88,100)(H,89,101)(H,90,103)(H,91,102)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t47-,48-,49-,50-,51-,52-,53-,54?,55-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133220
(CHEMBL3634920)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCC2CC2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r| Show InChI InChI=1S/C62H97N23O13/c63-23-5-4-12-39(51(64)90)79-58(97)47-16-9-27-85(47)59(98)42(15-8-26-73-62(69)70)82-57(96)46-32-75-48(87)30-45(56(95)81-40(13-6-24-71-60(65)66)53(92)80-41(54(93)84-46)14-7-25-72-61(67)68)83-55(94)44(29-35-10-2-1-3-11-35)78-50(89)34-76-49(88)33-77-52(91)43(74-31-37-17-18-37)28-36-19-21-38(86)22-20-36/h1-3,10-11,19-22,37,39-47,74,86H,4-9,12-18,23-34,63H2,(H2,64,90)(H,75,87)(H,76,88)(H,77,91)(H,78,89)(H,79,97)(H,80,92)(H,81,95)(H,82,96)(H,83,94)(H,84,93)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t39-,40-,41-,42-,43-,44-,45+,46?,47-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133221
(CHEMBL3634921)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r| Show InChI InChI=1S/C66H99N23O13/c67-27-8-7-17-43(55(68)94)83-62(101)51-21-12-32-89(51)63(102)46(20-11-30-78-66(73)74)86-61(100)50-36-79-52(91)35-49(60(99)85-44(18-9-28-76-64(69)70)57(96)84-45(58(97)88-50)19-10-29-77-65(71)72)87-59(98)48(34-40-15-5-2-6-16-40)82-54(93)38-80-53(92)37-81-56(95)47(33-41-22-24-42(90)25-23-41)75-31-26-39-13-3-1-4-14-39/h1-6,13-16,22-25,43-51,75,90H,7-12,17-21,26-38,67H2,(H2,68,94)(H,79,91)(H,80,92)(H,81,95)(H,82,93)(H,83,101)(H,84,96)(H,85,99)(H,86,100)(H,87,98)(H,88,97)(H4,69,70,76)(H4,71,72,77)(H4,73,74,78)/t43-,44-,45-,46-,47-,48-,49+,50?,51-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133260
(CHEMBL3634927)Show SMILES C[C@H](NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C62H90N20O12/c1-37(60(94)82-29-15-25-48(82)59(93)77-41(52(64)86)22-11-12-26-63)75-58(92)47-34-72-49(83)32-46(57(91)79-42(23-13-27-69-61(65)66)54(88)78-43(55(89)81-47)24-14-28-70-62(67)68)80-56(90)45(31-39-18-7-3-8-19-39)76-51(85)36-73-50(84)35-74-53(87)44(30-38-16-5-2-6-17-38)71-33-40-20-9-4-10-21-40/h2-10,16-21,37,41-48,71H,11-15,22-36,63H2,1H3,(H2,64,86)(H,72,83)(H,73,84)(H,74,87)(H,75,92)(H,76,85)(H,77,93)(H,78,88)(H,79,91)(H,80,90)(H,81,89)(H4,65,66,69)(H4,67,68,70)/t37-,41-,42-,43-,44-,45-,46+,47?,48-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50012153
(zyklophin)Show SMILES [H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)NC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)[C@@H](C)CC |r| Show InChI InChI=1S/C65H96N20O13/c1-3-38(2)54-62(97)83-49(60(95)81-45(21-13-29-73-65(70)71)63(98)85-30-14-22-50(85)61(96)79-43(55(67)90)19-10-11-27-66)35-75-51(87)33-48(59(94)80-44(57(92)84-54)20-12-28-72-64(68)69)82-58(93)47(32-39-15-6-4-7-16-39)78-53(89)37-76-52(88)36-77-56(91)46(31-40-23-25-42(86)26-24-40)74-34-41-17-8-5-9-18-41/h4-9,15-18,23-26,38,43-50,54,74,86H,3,10-14,19-22,27-37,66H2,1-2H3,(H2,67,90)(H,75,87)(H,76,88)(H,77,91)(H,78,89)(H,79,96)(H,80,94)(H,81,95)(H,82,93)(H,83,97)(H,84,92)(H4,68,69,72)(H4,70,71,73)/t38-,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133217
(CHEMBL3634917)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C69H107N23O13/c1-41(2)34-52(91-63(102)53(36-43-16-6-4-7-17-43)86-57(96)40-82-56(95)39-84-60(99)51(35-44-25-27-46(94)28-26-44)81-37-45-18-8-5-9-19-45)62(101)89-49(22-13-31-79-68(74)75)61(100)88-48(21-12-30-78-67(72)73)59(98)83-38-54(85-42(3)93)64(103)90-50(23-14-32-80-69(76)77)66(105)92-33-15-24-55(92)65(104)87-47(58(71)97)20-10-11-29-70/h4-9,16-19,25-28,41,47-55,81,94H,10-15,20-24,29-40,70H2,1-3H3,(H2,71,97)(H,82,95)(H,83,98)(H,84,99)(H,85,93)(H,86,96)(H,87,104)(H,88,100)(H,89,101)(H,90,103)(H,91,102)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t47-,48-,49-,50-,51-,52-,53-,54?,55-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 157 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133218
(CHEMBL3634918)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC(=O)NCC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C59H93N23O13/c1-68-40(27-34-18-20-35(83)21-19-34)49(88)74-31-46(85)73-32-47(86)75-41(28-33-11-3-2-4-12-33)52(91)80-42-29-45(84)72-30-43(81-51(90)38(15-8-24-70-58(64)65)77-50(89)37(78-53(42)92)14-7-23-69-57(62)63)54(93)79-39(16-9-25-71-59(66)67)56(95)82-26-10-17-44(82)55(94)76-36(48(61)87)13-5-6-22-60/h2-4,11-12,18-21,36-44,68,83H,5-10,13-17,22-32,60H2,1H3,(H2,61,87)(H,72,84)(H,73,85)(H,74,88)(H,75,86)(H,76,94)(H,77,89)(H,78,92)(H,79,93)(H,80,91)(H,81,90)(H4,62,63,69)(H4,64,65,70)(H4,66,67,71)/t36-,37-,38-,39-,40-,41-,42+,43?,44-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133256
(CHEMBL3632647)Show SMILES C[C@H](NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C62H90N20O13/c1-36(60(95)82-28-12-20-48(82)59(94)77-41(52(64)87)17-8-9-25-63)75-58(93)47-33-72-49(84)31-46(57(92)79-42(18-10-26-69-61(65)66)54(89)78-43(55(90)81-47)19-11-27-70-62(67)68)80-56(91)45(30-37-13-4-2-5-14-37)76-51(86)35-73-50(85)34-74-53(88)44(29-38-21-23-40(83)24-22-38)71-32-39-15-6-3-7-16-39/h2-7,13-16,21-24,36,41-48,71,83H,8-12,17-20,25-35,63H2,1H3,(H2,64,87)(H,72,84)(H,73,85)(H,74,88)(H,75,93)(H,76,86)(H,77,94)(H,78,89)(H,79,92)(H,80,91)(H,81,90)(H4,65,66,69)(H4,67,68,70)/t36-,41-,42-,43-,44-,45-,46+,47?,48-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 168 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133263
(CHEMBL3634929)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCCNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r| Show InChI InChI=1S/C67H101N23O13/c68-28-8-7-18-44(56(69)95)84-63(102)52-23-13-33-90(52)64(103)48(22-12-32-79-67(74)75)88-60(99)47-19-9-29-76-53(92)36-51(62(101)87-46(21-11-31-78-66(72)73)59(98)85-45(58(97)86-47)20-10-30-77-65(70)71)89-61(100)50(35-40-14-3-1-4-15-40)83-55(94)39-81-54(93)38-82-57(96)49(34-41-24-26-43(91)27-25-41)80-37-42-16-5-2-6-17-42/h1-6,14-17,24-27,44-52,80,91H,7-13,18-23,28-39,68H2,(H2,69,95)(H,76,92)(H,81,93)(H,82,96)(H,83,94)(H,84,102)(H,85,98)(H,86,97)(H,87,101)(H,88,99)(H,89,100)(H4,70,71,77)(H4,72,73,78)(H4,74,75,79)/t44-,45-,46-,47?,48-,49-,50-,51+,52-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 222 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133255
(CHEMBL3634926)Show SMILES C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)NCC(NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1 |r| Show InChI InChI=1S/C62H90N20O13/c1-36-53(88)81-47(58(93)79-43(19-11-27-70-62(67)68)60(95)82-28-12-20-48(82)59(94)77-41(52(64)87)17-8-9-25-63)33-72-49(84)31-46(57(92)78-42(55(90)75-36)18-10-26-69-61(65)66)80-56(91)45(30-37-13-4-2-5-14-37)76-51(86)35-73-50(85)34-74-54(89)44(29-38-21-23-40(83)24-22-38)71-32-39-15-6-3-7-16-39/h2-7,13-16,21-24,36,41-48,71,83H,8-12,17-20,25-35,63H2,1H3,(H2,64,87)(H,72,84)(H,73,85)(H,74,89)(H,75,90)(H,76,86)(H,77,94)(H,78,92)(H,79,93)(H,80,91)(H,81,88)(H4,65,66,69)(H4,67,68,70)/t36-,41-,42-,43-,44-,45-,46+,47?,48-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 293 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133219
(CHEMBL3634919)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r| Show InChI InChI=1S/C61H95N23O13/c1-2-24-70-42(29-36-19-21-37(85)22-20-36)51(90)76-33-48(87)75-34-49(88)77-43(30-35-12-4-3-5-13-35)54(93)82-44-31-47(86)74-32-45(83-53(92)40(16-9-26-72-60(66)67)79-52(91)39(80-55(44)94)15-8-25-71-59(64)65)56(95)81-41(17-10-27-73-61(68)69)58(97)84-28-11-18-46(84)57(96)78-38(50(63)89)14-6-7-23-62/h2-5,12-13,19-22,38-46,70,85H,1,6-11,14-18,23-34,62H2,(H2,63,89)(H,74,86)(H,75,87)(H,76,90)(H,77,88)(H,78,96)(H,79,91)(H,80,94)(H,81,95)(H,82,93)(H,83,92)(H4,64,65,71)(H4,66,67,72)(H4,68,69,73)/t38-,39-,40-,41-,42-,43-,44+,45?,46-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 326 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133222
(CHEMBL3634922)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r| Show InChI InChI=1S/C65H95N23O14/c66-26-8-7-17-41(53(67)93)81-61(101)49-21-12-30-88(49)62(102)44(20-11-29-76-65(72)73)84-60(100)48-34-77-50(90)33-47(59(99)83-42(18-9-27-74-63(68)69)56(96)82-43(57(97)87-48)19-10-28-75-64(70)71)86-58(98)46(31-37-13-3-1-4-14-37)80-52(92)36-78-51(91)35-79-55(95)45(32-38-22-24-40(89)25-23-38)85-54(94)39-15-5-2-6-16-39/h1-6,13-16,22-25,41-49,89H,7-12,17-21,26-36,66H2,(H2,67,93)(H,77,90)(H,78,91)(H,79,95)(H,80,92)(H,81,101)(H,82,96)(H,83,99)(H,84,100)(H,85,94)(H,86,98)(H,87,97)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t41-,42-,43-,44-,45-,46-,47+,48?,49-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 346 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133262
(CHEMBL3634928)Show SMILES CC1NC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C66H99N23O13/c1-38-54(62(101)86-46(21-12-30-77-66(73)74)63(102)89-31-13-22-50(89)61(100)83-43(55(68)94)18-8-9-27-67)88-58(97)45(20-11-29-76-65(71)72)84-57(96)44(19-10-28-75-64(69)70)85-60(99)49(34-51(91)81-38)87-59(98)48(33-39-14-4-2-5-15-39)82-53(93)37-79-52(92)36-80-56(95)47(32-40-23-25-42(90)26-24-40)78-35-41-16-6-3-7-17-41/h2-7,14-17,23-26,38,43-50,54,78,90H,8-13,18-22,27-37,67H2,1H3,(H2,68,94)(H,79,92)(H,80,95)(H,81,91)(H,82,93)(H,83,100)(H,84,96)(H,85,99)(H,86,101)(H,87,98)(H,88,97)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t38?,43-,44-,45-,46-,47-,48-,49+,50-,54?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 403 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133266
(CHEMBL3634930)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r| Show InChI InChI=1S/C67H101N23O13/c68-28-8-7-18-44(56(69)95)84-63(102)52-23-13-33-90(52)64(103)48(22-12-32-79-67(74)75)88-60(99)47-19-9-29-76-53(92)36-51(62(101)87-46(21-11-31-78-66(72)73)59(98)85-45(58(97)86-47)20-10-30-77-65(70)71)89-61(100)50(35-40-14-3-1-4-15-40)83-55(94)39-81-54(93)38-82-57(96)49(34-41-24-26-43(91)27-25-41)80-37-42-16-5-2-6-17-42/h1-6,14-17,24-27,44-52,80,91H,7-13,18-23,28-39,68H2,(H2,69,95)(H,76,92)(H,81,93)(H,82,96)(H,83,94)(H,84,102)(H,85,98)(H,86,97)(H,87,101)(H,88,99)(H,89,100)(H4,70,71,77)(H4,72,73,78)(H4,74,75,79)/t44-,45-,46-,47?,48-,49-,50-,51-,52-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133216
(CHEMBL3634916)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C68H105N23O13/c1-3-40(2)56(64(103)88-48(23-14-32-80-68(76)77)65(104)91-33-15-24-52(91)63(102)85-45(57(71)96)20-10-11-29-69)90-60(99)47(22-13-31-79-67(74)75)86-59(98)46(21-12-30-78-66(72)73)87-62(101)51(36-53(70)93)89-61(100)50(35-41-16-6-4-7-17-41)84-55(95)39-82-54(94)38-83-58(97)49(34-42-25-27-44(92)28-26-42)81-37-43-18-8-5-9-19-43/h4-9,16-19,25-28,40,45-52,56,81,92H,3,10-15,20-24,29-39,69H2,1-2H3,(H2,70,93)(H2,71,96)(H,82,94)(H,83,97)(H,84,95)(H,85,102)(H,86,98)(H,87,101)(H,88,103)(H,89,100)(H,90,99)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t40-,45-,46-,47-,48-,49-,50-,51+,52-,56-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 412 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133252
(CHEMBL3634923)Show SMILES C[C@H](NCc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC(=O)NCC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C59H93N23O12/c1-34(71-30-36-16-6-3-7-17-36)49(87)74-32-46(84)73-33-47(85)75-41(28-35-14-4-2-5-15-35)52(90)80-42-29-45(83)72-31-43(81-51(89)39(20-11-25-69-58(64)65)77-50(88)38(78-53(42)91)19-10-24-68-57(62)63)54(92)79-40(21-12-26-70-59(66)67)56(94)82-27-13-22-44(82)55(93)76-37(48(61)86)18-8-9-23-60/h2-7,14-17,34,37-44,71H,8-13,18-33,60H2,1H3,(H2,61,86)(H,72,83)(H,73,84)(H,74,87)(H,75,85)(H,76,93)(H,77,88)(H,78,91)(H,79,92)(H,80,90)(H,81,89)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t34-,37-,38-,39-,40-,41-,42+,43?,44-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 516 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50485125
(CHEMBL2030944)Show SMILES [#6]-[#8]-[#6](=O)-[#7]-[#6@H](-[#6](=O)-[#7]-[#7](-[#6]-[#6][C@]1([#6]-c2ccccc2)[#6@@H](-[#6]-[#7](-[#6@@H]-2-[#6@@H](-[#6]-c3ccccc-23)-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6])-[#6]1=O)-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6])-[#6]-c1ccc(Br)cc1)C([#6])([#6])[#6] |r| Show InChI InChI=1S/C49H73BrN4O6Si2/c1-46(2,3)42(51-45(57)58-10)43(55)52-53(32-35-24-26-37(50)27-25-35)29-28-49(31-34-20-16-15-17-21-34)40(60-62(13,14)48(7,8)9)33-54(44(49)56)41-38-23-19-18-22-36(38)30-39(41)59-61(11,12)47(4,5)6/h15-27,39-42H,28-33H2,1-14H3,(H,51,57)(H,52,55)/t39-,40-,41+,42-,49+/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... |
J Med Chem 55: 2724-36 (2012)
Article DOI: 10.1021/jm201620t
BindingDB Entry DOI: 10.7270/Q2C25086 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50485115
(CHEMBL2030945)Show SMILES [#6]-[#8]-[#6](=O)-[#7]-[#6@H](-[#6](=O)-[#7]-[#7](-[#6]-[#6][C@]1([#6]-c2ccccc2)[#6@H](-[#6]-[#7](-[#6@@H]-2-[#6@@H](-[#6]-c3ccccc-23)-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6])-[#6]1=O)-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6])-[#6]-c1ccc(Br)cc1)C([#6])([#6])[#6] |r| Show InChI InChI=1S/C49H73BrN4O6Si2/c1-46(2,3)42(51-45(57)58-10)43(55)52-53(32-35-24-26-37(50)27-25-35)29-28-49(31-34-20-16-15-17-21-34)40(60-62(13,14)48(7,8)9)33-54(44(49)56)41-38-23-19-18-22-36(38)30-39(41)59-61(11,12)47(4,5)6/h15-27,39-42H,28-33H2,1-14H3,(H,51,57)(H,52,55)/t39-,40+,41+,42-,49+/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... |
J Med Chem 55: 2724-36 (2012)
Article DOI: 10.1021/jm201620t
BindingDB Entry DOI: 10.7270/Q2C25086 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50485127
(CHEMBL2030948)Show SMILES COC(=O)N[C@H](C(=O)NN(CC[C@@]1(Cc2ccccc2)[C@@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(Br)cc1)C(C)(C)C |r| Show InChI InChI=1S/C37H45BrN4O6/c1-36(2,3)32(39-35(47)48-4)33(45)40-41(22-25-14-16-27(38)17-15-25)19-18-37(21-24-10-6-5-7-11-24)30(44)23-42(34(37)46)31-28-13-9-8-12-26(28)20-29(31)43/h5-17,29-32,43-44H,18-23H2,1-4H3,(H,39,47)(H,40,45)/t29-,30+,31+,32-,37-/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 940 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... |
J Med Chem 55: 2724-36 (2012)
Article DOI: 10.1021/jm201620t
BindingDB Entry DOI: 10.7270/Q2C25086 |
More data for this
Ligand-Target Pair | |
Protease
(Human immunodeficiency virus 1 (HIV-1)) | BDBM50485117
(CHEMBL2030947)Show SMILES COC(=O)N[C@H](C(=O)NN(CC[C@@]1(Cc2ccccc2)[C@H](O)CN([C@@H]2[C@H](O)Cc3ccccc23)C1=O)Cc1ccc(Br)cc1)C(C)(C)C |r| Show InChI InChI=1S/C37H45BrN4O6/c1-36(2,3)32(39-35(47)48-4)33(45)40-41(22-25-14-16-27(38)17-15-25)19-18-37(21-24-10-6-5-7-11-24)30(44)23-42(34(37)46)31-28-13-9-8-12-26(28)20-29(31)43/h5-17,29-32,43-44H,18-23H2,1-4H3,(H,39,47)(H,40,45)/t29-,30-,31+,32-,37-/m1/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli using DABCYL-Abu-Ser-Gln-ASN-Tyr-Pro-Ile-Val-Gln-EDANS as substrate preincubated for 20 min... |
J Med Chem 55: 2724-36 (2012)
Article DOI: 10.1021/jm201620t
BindingDB Entry DOI: 10.7270/Q2C25086 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133218
(CHEMBL3634918)Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC(=O)NCC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C59H93N23O13/c1-68-40(27-34-18-20-35(83)21-19-34)49(88)74-31-46(85)73-32-47(86)75-41(28-33-11-3-2-4-12-33)52(91)80-42-29-45(84)72-30-43(81-51(90)38(15-8-24-70-58(64)65)77-50(89)37(78-53(42)92)14-7-23-69-57(62)63)54(93)79-39(16-9-25-71-59(66)67)56(95)82-26-10-17-44(82)55(94)76-36(48(61)87)13-5-6-22-60/h2-4,11-12,18-21,36-44,68,83H,5-10,13-17,22-32,60H2,1H3,(H2,61,87)(H,72,84)(H,73,85)(H,74,88)(H,75,86)(H,76,94)(H,77,89)(H,78,92)(H,79,93)(H,80,91)(H,81,90)(H4,62,63,69)(H4,64,65,70)(H4,66,67,71)/t36-,37-,38-,39-,40-,41-,42+,43?,44-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133254
(CHEMBL3634925)Show SMILES C[C@@H]1NC(=O)[C@@H](CC(=O)NCC(NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1 |r| Show InChI InChI=1S/C62H90N20O13/c1-36-53(88)78-42(18-10-26-69-61(65)66)55(90)81-47(58(93)79-43(19-11-27-70-62(67)68)60(95)82-28-12-20-48(82)59(94)77-41(52(64)87)17-8-9-25-63)33-72-49(84)31-46(56(91)75-36)80-57(92)45(30-37-13-4-2-5-14-37)76-51(86)35-73-50(85)34-74-54(89)44(29-38-21-23-40(83)24-22-38)71-32-39-15-6-3-7-16-39/h2-7,13-16,21-24,36,41-48,71,83H,8-12,17-20,25-35,63H2,1H3,(H2,64,87)(H,72,84)(H,73,85)(H,74,89)(H,75,91)(H,76,86)(H,77,94)(H,78,88)(H,79,93)(H,80,92)(H,81,90)(H4,65,66,69)(H4,67,68,70)/t36-,41-,42-,43-,44-,45-,46+,47?,48-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133216
(CHEMBL3634916)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C68H105N23O13/c1-3-40(2)56(64(103)88-48(23-14-32-80-68(76)77)65(104)91-33-15-24-52(91)63(102)85-45(57(71)96)20-10-11-29-69)90-60(99)47(22-13-31-79-67(74)75)86-59(98)46(21-12-30-78-66(72)73)87-62(101)51(36-53(70)93)89-61(100)50(35-41-16-6-4-7-17-41)84-55(95)39-82-54(94)38-83-58(97)49(34-42-25-27-44(92)28-26-42)81-37-43-18-8-5-9-19-43/h4-9,16-19,25-28,40,45-52,56,81,92H,3,10-15,20-24,29-39,69H2,1-2H3,(H2,70,93)(H2,71,96)(H,82,94)(H,83,97)(H,84,95)(H,85,102)(H,86,98)(H,87,101)(H,88,103)(H,89,100)(H,90,99)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t40-,45-,46-,47-,48-,49-,50-,51+,52-,56-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133256
(CHEMBL3632647)Show SMILES C[C@H](NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C62H90N20O13/c1-36(60(95)82-28-12-20-48(82)59(94)77-41(52(64)87)17-8-9-25-63)75-58(93)47-33-72-49(84)31-46(57(92)79-42(18-10-26-69-61(65)66)54(89)78-43(55(90)81-47)19-11-27-70-62(67)68)80-56(91)45(30-37-13-4-2-5-14-37)76-51(86)35-73-50(85)34-74-53(88)44(29-38-21-23-40(83)24-22-38)71-32-39-15-6-3-7-16-39/h2-7,13-16,21-24,36,41-48,71,83H,8-12,17-20,25-35,63H2,1H3,(H2,64,87)(H,72,84)(H,73,85)(H,74,88)(H,75,93)(H,76,86)(H,77,94)(H,78,89)(H,79,92)(H,80,91)(H,81,90)(H4,65,66,69)(H4,67,68,70)/t36-,41-,42-,43-,44-,45-,46+,47?,48-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133266
(CHEMBL3634930)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r| Show InChI InChI=1S/C67H101N23O13/c68-28-8-7-18-44(56(69)95)84-63(102)52-23-13-33-90(52)64(103)48(22-12-32-79-67(74)75)88-60(99)47-19-9-29-76-53(92)36-51(62(101)87-46(21-11-31-78-66(72)73)59(98)85-45(58(97)86-47)20-10-30-77-65(70)71)89-61(100)50(35-40-14-3-1-4-15-40)83-55(94)39-81-54(93)38-82-57(96)49(34-41-24-26-43(91)27-25-41)80-37-42-16-5-2-6-17-42/h1-6,14-17,24-27,44-52,80,91H,7-13,18-23,28-39,68H2,(H2,69,95)(H,76,92)(H,81,93)(H,82,96)(H,83,94)(H,84,102)(H,85,98)(H,86,97)(H,87,101)(H,88,99)(H,89,100)(H4,70,71,77)(H4,72,73,78)(H4,74,75,79)/t44-,45-,46-,47?,48-,49-,50-,51-,52-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133262
(CHEMBL3634928)Show SMILES CC1NC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C66H99N23O13/c1-38-54(62(101)86-46(21-12-30-77-66(73)74)63(102)89-31-13-22-50(89)61(100)83-43(55(68)94)18-8-9-27-67)88-58(97)45(20-11-29-76-65(71)72)84-57(96)44(19-10-28-75-64(69)70)85-60(99)49(34-51(91)81-38)87-59(98)48(33-39-14-4-2-5-15-39)82-53(93)37-79-52(92)36-80-56(95)47(32-40-23-25-42(90)26-24-40)78-35-41-16-6-3-7-17-41/h2-7,14-17,23-26,38,43-50,54,78,90H,8-13,18-22,27-37,67H2,1H3,(H2,68,94)(H,79,92)(H,80,95)(H,81,91)(H,82,93)(H,83,100)(H,84,96)(H,85,99)(H,86,101)(H,87,98)(H,88,97)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t38?,43-,44-,45-,46-,47-,48-,49+,50-,54?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133253
(CHEMBL3634924)Show SMILES C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H]1CC(=O)NCC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C59H93N23O13/c1-33(75-47(86)32-73-46(85)31-74-50(89)41(27-34-18-20-36(83)21-19-34)71-29-35-11-3-2-4-12-35)49(88)80-42-28-45(84)72-30-43(81-52(91)39(15-8-24-69-58(64)65)77-51(90)38(78-53(42)92)14-7-23-68-57(62)63)54(93)79-40(16-9-25-70-59(66)67)56(95)82-26-10-17-44(82)55(94)76-37(48(61)87)13-5-6-22-60/h2-4,11-12,18-21,33,37-44,71,83H,5-10,13-17,22-32,60H2,1H3,(H2,61,87)(H,72,84)(H,73,85)(H,74,89)(H,75,86)(H,76,94)(H,77,90)(H,78,92)(H,79,93)(H,80,88)(H,81,91)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t33-,37-,38-,39-,40-,41-,42+,43?,44-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50012153
(zyklophin)Show SMILES [H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)NC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)[C@@H](C)CC |r| Show InChI InChI=1S/C65H96N20O13/c1-3-38(2)54-62(97)83-49(60(95)81-45(21-13-29-73-65(70)71)63(98)85-30-14-22-50(85)61(96)79-43(55(67)90)19-10-11-27-66)35-75-51(87)33-48(59(94)80-44(57(92)84-54)20-12-28-72-64(68)69)82-58(93)47(32-39-15-6-4-7-16-39)78-53(89)37-76-52(88)36-77-56(91)46(31-40-23-25-42(86)26-24-40)74-34-41-17-8-5-9-18-41/h4-9,15-18,23-26,38,43-50,54,74,86H,3,10-14,19-22,27-37,66H2,1-2H3,(H2,67,90)(H,75,87)(H,76,88)(H,77,91)(H,78,89)(H,79,96)(H,80,94)(H,81,95)(H,82,93)(H,83,97)(H,84,92)(H4,68,69,72)(H4,70,71,73)/t38-,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133263
(CHEMBL3634929)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCCNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r| Show InChI InChI=1S/C67H101N23O13/c68-28-8-7-18-44(56(69)95)84-63(102)52-23-13-33-90(52)64(103)48(22-12-32-79-67(74)75)88-60(99)47-19-9-29-76-53(92)36-51(62(101)87-46(21-11-31-78-66(72)73)59(98)85-45(58(97)86-47)20-10-30-77-65(70)71)89-61(100)50(35-40-14-3-1-4-15-40)83-55(94)39-81-54(93)38-82-57(96)49(34-41-24-26-43(91)27-25-41)80-37-42-16-5-2-6-17-42/h1-6,14-17,24-27,44-52,80,91H,7-13,18-23,28-39,68H2,(H2,69,95)(H,76,92)(H,81,93)(H,82,96)(H,83,94)(H,84,102)(H,85,98)(H,86,97)(H,87,101)(H,88,99)(H,89,100)(H4,70,71,77)(H4,72,73,78)(H4,74,75,79)/t44-,45-,46-,47?,48-,49-,50-,51+,52-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133221
(CHEMBL3634921)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCCc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r| Show InChI InChI=1S/C66H99N23O13/c67-27-8-7-17-43(55(68)94)83-62(101)51-21-12-32-89(51)63(102)46(20-11-30-78-66(73)74)86-61(100)50-36-79-52(91)35-49(60(99)85-44(18-9-28-76-64(69)70)57(96)84-45(58(97)88-50)19-10-29-77-65(71)72)87-59(98)48(34-40-15-5-2-6-16-40)82-54(93)38-80-53(92)37-81-56(95)47(33-41-22-24-42(90)25-23-41)75-31-26-39-13-3-1-4-14-39/h1-6,13-16,22-25,43-51,75,90H,7-12,17-21,26-38,67H2,(H2,68,94)(H,79,91)(H,80,92)(H,81,95)(H,82,93)(H,83,101)(H,84,96)(H,85,99)(H,86,100)(H,87,98)(H,88,97)(H4,69,70,76)(H4,71,72,77)(H4,73,74,78)/t43-,44-,45-,46-,47-,48-,49+,50?,51-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133252
(CHEMBL3634923)Show SMILES C[C@H](NCc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC(=O)NCC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C59H93N23O12/c1-34(71-30-36-16-6-3-7-17-36)49(87)74-32-46(84)73-33-47(85)75-41(28-35-14-4-2-5-15-35)52(90)80-42-29-45(83)72-31-43(81-51(89)39(20-11-25-69-58(64)65)77-50(88)38(78-53(42)91)19-10-24-68-57(62)63)54(92)79-40(21-12-26-70-59(66)67)56(94)82-27-13-22-44(82)55(93)76-37(48(61)86)18-8-9-23-60/h2-7,14-17,34,37-44,71H,8-13,18-33,60H2,1H3,(H2,61,86)(H,72,83)(H,73,84)(H,74,87)(H,75,85)(H,76,93)(H,77,88)(H,78,91)(H,79,92)(H,80,90)(H,81,89)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t34-,37-,38-,39-,40-,41-,42+,43?,44-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133255
(CHEMBL3634926)Show SMILES C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CC(=O)NCC(NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1 |r| Show InChI InChI=1S/C62H90N20O13/c1-36-53(88)81-47(58(93)79-43(19-11-27-70-62(67)68)60(95)82-28-12-20-48(82)59(94)77-41(52(64)87)17-8-9-25-63)33-72-49(84)31-46(57(92)78-42(55(90)75-36)18-10-26-69-61(65)66)80-56(91)45(30-37-13-4-2-5-14-37)76-51(86)35-73-50(85)34-74-54(89)44(29-38-21-23-40(83)24-22-38)71-32-39-15-6-3-7-16-39/h2-7,13-16,21-24,36,41-48,71,83H,8-12,17-20,25-35,63H2,1H3,(H2,64,87)(H,72,84)(H,73,85)(H,74,89)(H,75,90)(H,76,86)(H,77,94)(H,78,92)(H,79,93)(H,80,91)(H,81,88)(H4,65,66,69)(H4,67,68,70)/t36-,41-,42-,43-,44-,45-,46+,47?,48-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133253
(CHEMBL3634924)Show SMILES C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H]1CC(=O)NCC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C59H93N23O13/c1-33(75-47(86)32-73-46(85)31-74-50(89)41(27-34-18-20-36(83)21-19-34)71-29-35-11-3-2-4-12-35)49(88)80-42-28-45(84)72-30-43(81-52(91)39(15-8-24-69-58(64)65)77-51(90)38(78-53(42)92)14-7-23-68-57(62)63)54(93)79-40(16-9-25-70-59(66)67)56(95)82-26-10-17-44(82)55(94)76-37(48(61)87)13-5-6-22-60/h2-4,11-12,18-21,33,37-44,71,83H,5-10,13-17,22-32,60H2,1H3,(H2,61,87)(H,72,84)(H,73,85)(H,74,89)(H,75,86)(H,76,94)(H,77,90)(H,78,92)(H,79,93)(H,80,88)(H,81,91)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t33-,37-,38-,39-,40-,41-,42+,43?,44-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133222
(CHEMBL3634922)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r| Show InChI InChI=1S/C65H95N23O14/c66-26-8-7-17-41(53(67)93)81-61(101)49-21-12-30-88(49)62(102)44(20-11-29-76-65(72)73)84-60(100)48-34-77-50(90)33-47(59(99)83-42(18-9-27-74-63(68)69)56(96)82-43(57(97)87-48)19-10-28-75-64(70)71)86-58(98)46(31-37-13-3-1-4-14-37)80-52(92)36-78-51(91)35-79-55(95)45(32-38-22-24-40(89)25-23-38)85-54(94)39-15-5-2-6-16-39/h1-6,13-16,22-25,41-49,89H,7-12,17-21,26-36,66H2,(H2,67,93)(H,77,90)(H,78,91)(H,79,95)(H,80,92)(H,81,101)(H,82,96)(H,83,99)(H,84,100)(H,85,94)(H,86,98)(H,87,97)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t41-,42-,43-,44-,45-,46-,47+,48?,49-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50133220
(CHEMBL3634920)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)C1CNC(=O)C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCC2CC2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r| Show InChI InChI=1S/C62H97N23O13/c63-23-5-4-12-39(51(64)90)79-58(97)47-16-9-27-85(47)59(98)42(15-8-26-73-62(69)70)82-57(96)46-32-75-48(87)30-45(56(95)81-40(13-6-24-71-60(65)66)53(92)80-41(54(93)84-46)14-7-25-72-61(67)68)83-55(94)44(29-35-10-2-1-3-11-35)78-50(89)34-76-49(88)33-77-52(91)43(74-31-37-17-18-37)28-36-19-21-38(86)22-20-36/h1-3,10-11,19-22,37,39-47,74,86H,4-9,12-18,23-34,63H2,(H2,64,90)(H,75,87)(H,76,88)(H,77,91)(H,78,89)(H,79,97)(H,80,92)(H,81,95)(H,82,96)(H,83,94)(H,84,93)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t39-,40-,41-,42-,43-,44-,45+,46?,47-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells after 90 mins by scintillation counter |
J Med Chem 58: 8783-95 (2015)
Article DOI: 10.1021/jm501827k
BindingDB Entry DOI: 10.7270/Q2348N7Z |
More data for this
Ligand-Target Pair | |
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