Found 474 hits with Last Name = 'bao' and Initial = 'y' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50264567
(CHEMBL4063074)Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1 Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from recombinant human kappa-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation countin... |
Eur J Med Chem 130: 15-25 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50264574
(CHEMBL4090064)Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)c(Cl)c1 Show InChI InChI=1S/C26H26ClFN2O2/c1-16-10-17(2)12-20(11-16)23-4-3-9-30(23)15-18-5-7-24(21(27)13-18)32-25-8-6-19(26(29)31)14-22(25)28/h5-8,10-14,23H,3-4,9,15H2,1-2H3,(H2,29,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from recombinant human kappa-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation countin... |
Eur J Med Chem 130: 15-25 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 2A1
(Homo sapiens (Human)) | BDBM50035622
((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r| Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PGE2 uptake in PGT-expressing HeLa cells |
Am J Physiol 277: 734-41 (1999)
Article DOI: 10.1152/ajpregu.1999.277.3.R734
BindingDB Entry DOI: 10.7270/Q2902524 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50264566
(CHEMBL4062024)Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)c(F)c1 Show InChI InChI=1S/C26H26F2N2O2/c1-16-10-17(2)12-20(11-16)23-4-3-9-30(23)15-18-5-7-24(21(27)13-18)32-25-8-6-19(26(29)31)14-22(25)28/h5-8,10-14,23H,3-4,9,15H2,1-2H3,(H2,29,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from recombinant human mu-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting me... |
Eur J Med Chem 130: 15-25 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50264565
(CHEMBL4069892)Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(N)=O)c(F)c1 Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-10-25(23(27)15-19)31-22-8-6-20(7-9-22)26(28)30/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from recombinant human kappa-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation countin... |
Eur J Med Chem 130: 15-25 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50264564
(CHEMBL4082214)Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(N)=O)c(Cl)c1 Show InChI InChI=1S/C26H27ClN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-10-25(23(27)15-19)31-22-8-6-20(7-9-22)26(28)30/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from recombinant human mu-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting me... |
Eur J Med Chem 130: 15-25 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50264564
(CHEMBL4082214)Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(N)=O)c(Cl)c1 Show InChI InChI=1S/C26H27ClN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-10-25(23(27)15-19)31-22-8-6-20(7-9-22)26(28)30/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from recombinant human kappa-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation countin... |
Eur J Med Chem 130: 15-25 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 2A1
(Homo sapiens (Human)) | BDBM21544
((5Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyo...)Show SMILES CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O |r| Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PGE2 uptake in PGT-expressing HeLa cells |
Am J Physiol 277: 734-41 (1999)
Article DOI: 10.1152/ajpregu.1999.277.3.R734
BindingDB Entry DOI: 10.7270/Q2902524 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 2A1
(Rattus norvegicus (Rat)) | BDBM10042
((5Z)-7-[(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroxyoct-1-en...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC(O)=O Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h4,7,12-13,15-19,21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1 | UniProtKB/SwissProt
GoogleScholar
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| Purchase
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
| PubMed
| 38.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PGE2 uptake in PGT-expressing HeLa cells |
Mol Pharmacol 50: 738-42 (1996)
BindingDB Entry DOI: 10.7270/Q2MW2J7P |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50264566
(CHEMBL4062024)Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)c(F)c1 Show InChI InChI=1S/C26H26F2N2O2/c1-16-10-17(2)12-20(11-16)23-4-3-9-30(23)15-18-5-7-24(21(27)13-18)32-25-8-6-19(26(29)31)14-22(25)28/h5-8,10-14,23H,3-4,9,15H2,1-2H3,(H2,29,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from recombinant human kappa-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation countin... |
Eur J Med Chem 130: 15-25 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 2A1
(Rattus norvegicus (Rat)) | BDBM21544
((5Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyo...)Show SMILES CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O |r| Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
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| Purchase
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PC cid
PC sid
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Similars
| Article
PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PGE2 uptake in PGT-expressing HeLa cells |
Am J Physiol 277: 734-41 (1999)
Article DOI: 10.1152/ajpregu.1999.277.3.R734
BindingDB Entry DOI: 10.7270/Q2902524 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 2A1
(Rattus norvegicus (Rat)) | BDBM50035622
((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r| Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1 | UniProtKB/SwissProt
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PGE2 uptake in PGT-expressing HeLa cells |
Am J Physiol 277: 734-41 (1999)
Article DOI: 10.1152/ajpregu.1999.277.3.R734
BindingDB Entry DOI: 10.7270/Q2902524 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50264565
(CHEMBL4069892)Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(N)=O)c(F)c1 Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-10-25(23(27)15-19)31-22-8-6-20(7-9-22)26(28)30/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from recombinant human mu-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting me... |
Eur J Med Chem 130: 15-25 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 2A1
(Rattus norvegicus (Rat)) | BDBM50390997
(CHEMBL1561148)Show SMILES CCCCC[C@H](O)C=CC1=C(CCCCCCC(O)=O)C(=O)CC1 |w:8.8,c:9| Show InChI InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,17,21H,2-11,13,15H2,1H3,(H,23,24)/t17-/m0/s1 | UniProtKB/SwissProt
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CHEMBL
PC cid
PC sid
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| PubMed
| 71.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PGE2 uptake in PGT-expressing HeLa cells |
Mol Pharmacol 50: 738-42 (1996)
BindingDB Entry DOI: 10.7270/Q2MW2J7P |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50264567
(CHEMBL4063074)Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1 Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from recombinant human mu-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting me... |
Eur J Med Chem 130: 15-25 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50264567
(CHEMBL4063074)Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1 Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from recombinant human delta-opioid receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation count... |
Eur J Med Chem 130: 15-25 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 2A1
(Mus musculus) | BDBM21544
((5Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyo...)Show SMILES CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O |r| Show InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PGE2 uptake in PGT-expressing HeLa cells |
Am J Physiol 277: 734-41 (1999)
Article DOI: 10.1152/ajpregu.1999.277.3.R734
BindingDB Entry DOI: 10.7270/Q2902524 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 2A1
(Mus musculus) | BDBM50035622
((5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O |r| Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1 | Reactome pathway
KEGG
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| 104 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PGE2 uptake in PGT-expressing HeLa cells |
Am J Physiol 277: 734-41 (1999)
Article DOI: 10.1152/ajpregu.1999.277.3.R734
BindingDB Entry DOI: 10.7270/Q2902524 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 2A1
(Rattus norvegicus (Rat)) | BDBM50390998
(CHEMBL2075005)Show SMILES CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](CCCCCCC(O)=O)[C@@H](O)CC1=O Show InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-18,21-22H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-/m0/s1 | UniProtKB/SwissProt
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| 162 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PGE2 uptake in PGT-expressing HeLa cells |
Mol Pharmacol 50: 738-42 (1996)
BindingDB Entry DOI: 10.7270/Q2MW2J7P |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50264574
(CHEMBL4090064)Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)c(Cl)c1 Show InChI InChI=1S/C26H26ClFN2O2/c1-16-10-17(2)12-20(11-16)23-4-3-9-30(23)15-18-5-7-24(21(27)13-18)32-25-8-6-19(26(29)31)14-22(25)28/h5-8,10-14,23H,3-4,9,15H2,1-2H3,(H2,29,31) | PDB
Reactome pathway
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| 191 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from recombinant human delta-opioid receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation count... |
Eur J Med Chem 130: 15-25 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50264574
(CHEMBL4090064)Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)c(Cl)c1 Show InChI InChI=1S/C26H26ClFN2O2/c1-16-10-17(2)12-20(11-16)23-4-3-9-30(23)15-18-5-7-24(21(27)13-18)32-25-8-6-19(26(29)31)14-22(25)28/h5-8,10-14,23H,3-4,9,15H2,1-2H3,(H2,29,31) | PDB
NCI pathway
Reactome pathway
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| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from recombinant human mu-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting me... |
Eur J Med Chem 130: 15-25 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50264565
(CHEMBL4069892)Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(N)=O)c(F)c1 Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-10-25(23(27)15-19)31-22-8-6-20(7-9-22)26(28)30/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30) | PDB
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| 267 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from recombinant human delta-opioid receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation count... |
Eur J Med Chem 130: 15-25 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 2A1
(Rattus norvegicus (Rat)) | BDBM50318491
(7-((1R,2S)-2-((S)-3-hydroxyoct-1-enyl)-5-oxocyclop...)Show SMILES CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1CCCCCCC(O)=O |r,c:10| Show InChI InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/t16-,17-,18+/m0/s1 | UniProtKB/SwissProt
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| 286 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PGE2 uptake in PGT-expressing HeLa cells |
Mol Pharmacol 50: 738-42 (1996)
BindingDB Entry DOI: 10.7270/Q2MW2J7P |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50264566
(CHEMBL4062024)Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)c(F)c1 Show InChI InChI=1S/C26H26F2N2O2/c1-16-10-17(2)12-20(11-16)23-4-3-9-30(23)15-18-5-7-24(21(27)13-18)32-25-8-6-19(26(29)31)14-22(25)28/h5-8,10-14,23H,3-4,9,15H2,1-2H3,(H2,29,31) | PDB
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| 429 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from recombinant human delta-opioid receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation count... |
Eur J Med Chem 130: 15-25 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50264564
(CHEMBL4082214)Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2)C(N)=O)c(Cl)c1 Show InChI InChI=1S/C26H27ClN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-10-25(23(27)15-19)31-22-8-6-20(7-9-22)26(28)30/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30) | PDB
Reactome pathway
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| 489 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from recombinant human delta-opioid receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation count... |
Eur J Med Chem 130: 15-25 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1A1
(Rattus norvegicus) | BDBM50420244
(CHEMBL1628111)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(O)(=O)=O)ccc34)[C@@H]1CC[C@@H]2O |r| Show InChI InChI=1S/C18H24O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,17+,18+/m1/s1 | Reactome pathway
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| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cells |
Am J Physiol 270: 326-31 (1996)
Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1A1
(Rattus norvegicus) | BDBM50420245
(CHEMBL1614647)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(OS(O)(=O)=O)C#C |r| Show InChI InChI=1S/C20H24O5S/c1-3-20(25-26(22,23)24)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21H,4,6,8-11H2,2H3,(H,22,23,24)/t16-,17-,18+,19+,20+/m1/s1 | Reactome pathway
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| Article
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| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cells |
Am J Physiol 270: 326-31 (1996)
Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1A1
(Rattus norvegicus) | BDBM50366524
(ESTRONE | ESTROPIPATE | Estrone 3-sulfate | Estron...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(O)(=O)=O)ccc34)[C@@H]1CCC2=O Show InChI InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1 | Reactome pathway
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| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cells |
Am J Physiol 270: 326-31 (1996)
Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1A1
(Rattus norvegicus) | BDBM50420242
(CHEMBL2075012)Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COS(O)(=O)=O |r,t:9| Show InChI InChI=1S/C21H30O7S/c1-20-8-7-13(22)9-12(20)3-4-14-15-5-6-16(18(24)11-28-29(25,26)27)21(15,2)10-17(23)19(14)20/h9,14-17,19,23H,3-8,10-11H2,1-2H3,(H,25,26,27)/t14-,15-,16+,17-,19+,20-,21-/m0/s1 | Reactome pathway
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| Article
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| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cells |
Am J Physiol 270: 326-31 (1996)
Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50264572
(CHEMBL4087860)Show SMILES Cc1cccc(c1)C1CCCN1Cc1ccc(Oc2ccc(C(N)=O)c3ccccc23)cc1 Show InChI InChI=1S/C29H28N2O2/c1-20-6-4-7-22(18-20)27-10-5-17-31(27)19-21-11-13-23(14-12-21)33-28-16-15-26(29(30)32)24-8-2-3-9-25(24)28/h2-4,6-9,11-16,18,27H,5,10,17,19H2,1H3,(H2,30,32) | PDB
Reactome pathway
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| 1.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from recombinant human kappa-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation countin... |
Eur J Med Chem 130: 15-25 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1A1
(Rattus norvegicus) | BDBM50420249
(CHEMBL2074598)Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](CC[C@]34C)OS(O)(=O)=O)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H30O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3,(H,21,22,23)/t12-,13+,14-,15-,16-,18-,19-/m0/s1 | Reactome pathway
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| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cells |
Am J Physiol 270: 326-31 (1996)
Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 2A1
(Rattus norvegicus (Rat)) | BDBM50420251
(CHEMBL145704)Show SMILES Cc1c(Br)c(O)c(Br)cc1C1(OS(=O)(=O)c2ccccc12)c1cc(Br)c(O)c(Br)c1C Show InChI InChI=1S/C21H14Br4O5S/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21/h3-8,26-27H,1-2H3 | UniProtKB/SwissProt
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| 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PGF2alpha uptake in PGT-expressing HeLa cells |
Science 268: 866-869 (1995)
BindingDB Entry DOI: 10.7270/Q2VT1TCW |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1A1
(Rattus norvegicus) | BDBM50420248
(CHEMBL2074651)Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |r,t:8| Show InChI InChI=1S/C25H36O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h11,14-21,23,27-29H,3-10H2,1-2H3,(H,30,31)/t14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1 | Reactome pathway
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| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cells |
Am J Physiol 270: 326-31 (1996)
Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50264573
(CHEMBL4067922)Show SMILES COc1ccc(cc1)C1CCCN1Cc1ccc(Oc2ccc(C(N)=O)c3ccccc23)cc1 Show InChI InChI=1S/C29H28N2O3/c1-33-22-14-10-21(11-15-22)27-7-4-18-31(27)19-20-8-12-23(13-9-20)34-28-17-16-26(29(30)32)24-5-2-3-6-25(24)28/h2-3,5-6,8-17,27H,4,7,18-19H2,1H3,(H2,30,32) | PDB
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| 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from recombinant human kappa-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation countin... |
Eur J Med Chem 130: 15-25 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1A1
(Rattus norvegicus) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | Reactome pathway
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PubMed
| 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cells |
Am J Physiol 270: 326-31 (1996)
Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1A1
(Rattus norvegicus) | BDBM50170653
((11beta)-11,21-dihydroxypregn-4-ene-3,20-dione | 1...)Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO |r,t:9| Show InChI InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1 | Reactome pathway
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| 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cells |
Am J Physiol 270: 326-31 (1996)
Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1A1
(Rattus norvegicus) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | Reactome pathway
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| 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cells |
Am J Physiol 270: 326-31 (1996)
Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 2A1
(Rattus norvegicus (Rat)) | BDBM50390979
(BROMOSULFOPHTHALEIN)Show SMILES Oc1ccc(cc1S([O-])(=O)=O)C1(OC(=O)c2c1c(Br)c(Br)c(Br)c2Br)c1ccc(O)c(c1)S([O-])(=O)=O Show InChI InChI=1S/C20H10Br4O10S2/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33/h1-6,25-26H,(H,28,29,30)(H,31,32,33)/p-2 | UniProtKB/SwissProt
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| 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PGF2alpha uptake in PGT-expressing HeLa cells |
Science 268: 866-869 (1995)
BindingDB Entry DOI: 10.7270/Q2VT1TCW |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1A1
(Rattus norvegicus) | BDBM50420246
(CHEMBL2074591)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)ccc34)[C@@H]1CC[C@@H]2O Show InChI InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1 | Reactome pathway
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| 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cells |
Am J Physiol 270: 326-31 (1996)
Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1A1
(Rattus norvegicus) | BDBM50410506
(ESTRIOL)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O Show InChI InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1 | Reactome pathway
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| 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cells |
Am J Physiol 270: 326-31 (1996)
Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50264572
(CHEMBL4087860)Show SMILES Cc1cccc(c1)C1CCCN1Cc1ccc(Oc2ccc(C(N)=O)c3ccccc23)cc1 Show InChI InChI=1S/C29H28N2O2/c1-20-6-4-7-22(18-20)27-10-5-17-31(27)19-21-11-13-23(14-12-21)33-28-16-15-26(29(30)32)24-8-2-3-9-25(24)28/h2-4,6-9,11-16,18,27H,5,10,17,19H2,1H3,(H2,30,32) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from recombinant human mu-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting me... |
Eur J Med Chem 130: 15-25 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50264572
(CHEMBL4087860)Show SMILES Cc1cccc(c1)C1CCCN1Cc1ccc(Oc2ccc(C(N)=O)c3ccccc23)cc1 Show InChI InChI=1S/C29H28N2O2/c1-20-6-4-7-22(18-20)27-10-5-17-31(27)19-21-11-13-23(14-12-21)33-28-16-15-26(29(30)32)24-8-2-3-9-25(24)28/h2-4,6-9,11-16,18,27H,5,10,17,19H2,1H3,(H2,30,32) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from recombinant human delta-opioid receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation count... |
Eur J Med Chem 130: 15-25 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50264573
(CHEMBL4067922)Show SMILES COc1ccc(cc1)C1CCCN1Cc1ccc(Oc2ccc(C(N)=O)c3ccccc23)cc1 Show InChI InChI=1S/C29H28N2O3/c1-33-22-14-10-21(11-15-22)27-7-4-18-31(27)19-20-8-12-23(13-9-20)34-28-17-16-26(29(30)32)24-5-2-3-6-25(24)28/h2-3,5-6,8-17,27H,4,7,18-19H2,1H3,(H2,30,32) | PDB
NCI pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from recombinant human mu-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting me... |
Eur J Med Chem 130: 15-25 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50264573
(CHEMBL4067922)Show SMILES COc1ccc(cc1)C1CCCN1Cc1ccc(Oc2ccc(C(N)=O)c3ccccc23)cc1 Show InChI InChI=1S/C29H28N2O3/c1-33-22-14-10-21(11-15-22)27-7-4-18-31(27)19-20-8-12-23(13-9-20)34-28-17-16-26(29(30)32)24-5-2-3-6-25(24)28/h2-3,5-6,8-17,27H,4,7,18-19H2,1H3,(H2,30,32) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from recombinant human delta-opioid receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation count... |
Eur J Med Chem 130: 15-25 (2017)
Article DOI: 10.1016/j.ejmech.2017.02.029
BindingDB Entry DOI: 10.7270/Q2XP77F8 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1A1
(Rattus norvegicus) | BDBM17639
((1S,2S,5R,7S,10R,11S,15S)-5-hydroxy-2,15-dimethylt...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1 | Reactome pathway
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| 1.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cells |
Am J Physiol 270: 326-31 (1996)
Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1A1
(Rattus norvegicus) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | Reactome pathway
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| 1.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cells |
Am J Physiol 270: 326-31 (1996)
Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 2A1
(Rattus norvegicus (Rat)) | BDBM50420250
(INDOCYANINE GREEN)Show SMILES CC1(C)\C(=C\C=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccc4ccccc4c3C2(C)C)N(CCCCS(O)(=O)=O)c2ccc3ccccc3c12 |c:11| Show InChI InChI=1S/C43H48N2O6S2/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51) | UniProtKB/SwissProt
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| 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PGF2alpha uptake in PGT-expressing HeLa cells |
Science 268: 866-869 (1995)
BindingDB Entry DOI: 10.7270/Q2VT1TCW |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 2A1
(Rattus norvegicus (Rat)) | BDBM25902
(4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbe...)Show InChI InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19) | UniProtKB/SwissProt
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| 4.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of PGF2alpha uptake in PGT-expressing HeLa cells |
Science 268: 866-869 (1995)
BindingDB Entry DOI: 10.7270/Q2VT1TCW |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1A1
(Rattus norvegicus) | BDBM50420243
(CHEMBL2074705)Show SMILES CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1 |r| Show InChI InChI=1S/C21H32O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h14-18H,4-12H2,1-3H3/t14-,15+,16-,17-,18-,20-,21-/m0/s1 | Reactome pathway
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| 7.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cells |
Am J Physiol 270: 326-31 (1996)
Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5 |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1A1
(Rattus norvegicus) | BDBM50420247
(CHEMBL2074716)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)CC([O-])=O Show InChI InChI=1S/C20H26O4/c1-19-8-6-15-14-5-3-13(21)10-12(14)2-4-16(15)17(19)7-9-20(19,24)11-18(22)23/h3,5,10,15-17,21,24H,2,4,6-9,11H2,1H3,(H,22,23)/p-1/t15-,16-,17+,19+,20-/m1/s1 | Reactome pathway
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| >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cells |
Am J Physiol 270: 326-31 (1996)
Article DOI: 10.1152/ajprenal.1996.270.2.F326
BindingDB Entry DOI: 10.7270/Q20K29V5 |
More data for this
Ligand-Target Pair | |
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