Found 1105 hits with Last Name = 'liddle' and Initial = 'j' 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 |
|---|
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384817
(CHEMBL2037514)Show SMILES CCC(CC)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C30H38N4O4/c1-4-20(5-2)26-28(35)32-25(24-16-21-8-6-7-9-22(21)17-24)29(36)34(26)27(23-11-10-19(3)31-18-23)30(37)33-12-14-38-15-13-33/h6-11,18,20,24-27H,4-5,12-17H2,1-3H3,(H,32,35)/t25-,26-,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384800
(CHEMBL2037517)Show SMILES CCC(CC)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C31H40N4O4/c1-5-21(6-2)27-29(36)33-26(24-17-22-9-7-8-10-23(22)18-24)30(37)35(27)28(25-12-11-19(3)32-20(25)4)31(38)34-13-15-39-16-14-34/h7-12,21,24,26-28H,5-6,13-18H2,1-4H3,(H,33,36)/t26-,27-,28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384816
(CHEMBL2037516)Show SMILES CCC(CC)[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C29H38N4O3/c1-7-19(8-2)25-27(34)31-24(22-15-20-11-9-10-12-21(20)16-22)28(35)33(25)26(29(36)32(5)6)23-14-13-17(3)30-18(23)4/h9-14,19,22,24-26H,7-8,15-16H2,1-6H3,(H,31,34)/t24-,25-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384823
(CHEMBL2037507)Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N(C)C)c2cnc(C)cc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C28H36N4O3/c1-7-16(2)24-26(33)30-23(21-13-19-10-8-9-11-20(19)14-21)27(34)32(24)25(28(35)31(5)6)22-15-29-18(4)12-17(22)3/h8-12,15-16,21,23-25H,7,13-14H2,1-6H3,(H,30,33)/t16-,23+,24+,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Kynurenine 3-monooxygenase
(Homo sapiens (Human)) | BDBM50266003
(CHEMBL4091152)Show SMILES C[C@@H](Oc1cc2onc(CCC(O)=O)c2cc1Cl)c1ccccn1 |r| Show InChI InChI=1S/C17H15ClN2O4/c1-10(13-4-2-3-7-19-13)23-16-9-15-11(8-12(16)18)14(20-24-15)5-6-17(21)22/h2-4,7-10H,5-6H2,1H3,(H,21,22)/t10-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Competitive inhibition of full length human GST-tagged KMO expressed in baculovirus infected Sf9 insect cell membranes using kynurenine as substrate ... |
J Med Chem 60: 3383-3404 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00055
BindingDB Entry DOI: 10.7270/Q26112SB |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384837
(CHEMBL2037515)Show SMILES CCC(CC)[C@H]1N([C@@H](C(=O)NC)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C28H36N4O3/c1-6-18(7-2)24-27(34)31-23(21-14-19-10-8-9-11-20(19)15-21)28(35)32(24)25(26(33)29-5)22-13-12-16(3)30-17(22)4/h8-13,18,21,23-25H,6-7,14-15H2,1-5H3,(H,29,33)(H,31,34)/t23-,24-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384818
(CHEMBL2037513)Show SMILES CCC(CC)[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C28H36N4O3/c1-6-18(7-2)24-26(33)30-23(22-14-19-10-8-9-11-20(19)15-22)27(34)32(24)25(28(35)31(4)5)21-13-12-17(3)29-16-21/h8-13,16,18,22-25H,6-7,14-15H2,1-5H3,(H,30,33)/t23-,24-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384822
(CHEMBL2037508)Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2cnc(C)cc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C30H38N4O4/c1-5-18(2)26-28(35)32-25(23-15-21-8-6-7-9-22(21)16-23)29(36)34(26)27(24-17-31-20(4)14-19(24)3)30(37)33-10-12-38-13-11-33/h6-9,14,17-18,23,25-27H,5,10-13,15-16H2,1-4H3,(H,32,35)/t18-,25+,26+,27+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384824
(CHEMBL2037506)Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)NC)c2cnc(C)cc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C27H34N4O3/c1-6-15(2)23-26(33)30-22(20-12-18-9-7-8-10-19(18)13-20)27(34)31(23)24(25(32)28-5)21-14-29-17(4)11-16(21)3/h7-11,14-15,20,22-24H,6,12-13H2,1-5H3,(H,28,32)(H,30,33)/t15-,22+,23+,24+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384815
(CHEMBL2037496)Show SMILES CN(C)C(=O)[C@H](N1[C@H](CC(C)(C)C)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)c1ccc(C)nc1 |r| Show InChI InChI=1S/C28H36N4O3/c1-17-11-12-20(16-29-17)24(27(35)31(5)6)32-22(15-28(2,3)4)25(33)30-23(26(32)34)21-13-18-9-7-8-10-19(18)14-21/h7-12,16,21-24H,13-15H2,1-6H3,(H,30,33)/t22-,23-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384834
(CHEMBL2037497)Show SMILES Cc1ccc(cn1)[C@@H](N1[C@H](CC(C)(C)C)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C30H38N4O4/c1-19-9-10-22(18-31-19)26(29(37)33-11-13-38-14-12-33)34-24(17-30(2,3)4)27(35)32-25(28(34)36)23-15-20-7-5-6-8-21(20)16-23/h5-10,18,23-26H,11-17H2,1-4H3,(H,32,35)/t24-,25-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384838
(CHEMBL2037510)Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C28H36N4O3/c1-7-16(2)24-26(33)30-23(21-14-19-10-8-9-11-20(19)15-21)27(34)32(24)25(28(35)31(5)6)22-13-12-17(3)29-18(22)4/h8-13,16,21,23-25H,7,14-15H2,1-6H3,(H,30,33)/t16-,23+,24+,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50190528
((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...)Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(F)cc2F)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C27H31F2N3O3/c1-15(2)11-22-25(33)30-23(18-12-16-7-5-6-8-17(16)13-18)26(34)32(22)24(27(35)31(3)4)20-10-9-19(28)14-21(20)29/h5-10,14-15,18,22-24H,11-13H2,1-4H3,(H,30,33)/t22-,23-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384819
(CHEMBL2037512)Show SMILES CCC(CC)[C@H]1N([C@@H](C(=O)NC)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C27H34N4O3/c1-5-17(6-2)23-26(33)30-22(21-13-18-9-7-8-10-19(18)14-21)27(34)31(23)24(25(32)28-4)20-12-11-16(3)29-15-20/h7-12,15,17,21-24H,5-6,13-14H2,1-4H3,(H,28,32)(H,30,33)/t22-,23-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Kynurenine 3-monooxygenase
(Homo sapiens (Human)) | BDBM50266041
(CHEMBL4070212)Show SMILES C[C@@H](Oc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl)c1ccccn1 |r| Show InChI InChI=1S/C17H15ClN2O5/c1-10(12-4-2-3-6-19-12)24-14-9-15-13(8-11(14)18)20(17(23)25-15)7-5-16(21)22/h2-4,6,8-10H,5,7H2,1H3,(H,21,22)/t10-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full length human GST-tagged KMO expressed in baculovirus infected Sf9 insect cell membranes using kynurenine as substrate measured aft... |
J Med Chem 60: 3383-3404 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00055
BindingDB Entry DOI: 10.7270/Q26112SB |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384820
(EPELSIBAN | GSK557296B)Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C30H38N4O4/c1-5-18(2)26-28(35)32-25(23-16-21-8-6-7-9-22(21)17-23)29(36)34(26)27(24-11-10-19(3)31-20(24)4)30(37)33-12-14-38-15-13-33/h6-11,18,23,25-27H,5,12-17H2,1-4H3,(H,32,35)/t18-,25+,26+,27+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384803
(CHEMBL2037501)Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C29H36N4O4/c1-4-18(2)25-27(34)31-24(23-15-20-7-5-6-8-21(20)16-23)28(35)33(25)26(22-10-9-19(3)30-17-22)29(36)32-11-13-37-14-12-32/h5-10,17-18,23-26H,4,11-16H2,1-3H3,(H,31,34)/t18-,24+,25+,26+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384805
(CHEMBL2037499)Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C27H34N4O3/c1-6-16(2)23-25(32)29-22(21-13-18-9-7-8-10-19(18)14-21)26(33)31(23)24(27(34)30(4)5)20-12-11-17(3)28-15-20/h7-12,15-16,21-24H,6,13-14H2,1-5H3,(H,29,32)/t16-,22+,23+,24+/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384836
(CHEMBL2037487)Show SMILES COc1ccc(cn1)[C@@H](N1[C@H](CC(C)C)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C29H36N4O5/c1-18(2)14-23-27(34)31-25(22-15-19-6-4-5-7-20(19)16-22)28(35)33(23)26(21-8-9-24(37-3)30-17-21)29(36)32-10-12-38-13-11-32/h4-9,17-18,22-23,25-26H,10-16H2,1-3H3,(H,31,34)/t23-,25-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384812
(CHEMBL2037489)Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(nc2)N(C)C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C28H37N5O3/c1-17(2)13-22-26(34)30-24(21-14-18-9-7-8-10-19(18)15-21)27(35)33(22)25(28(36)32(5)6)20-11-12-23(29-16-20)31(3)4/h7-12,16-17,21-22,24-25H,13-15H2,1-6H3,(H,30,34)/t22-,24-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384811
(CHEMBL2037490)Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(nc2)N(C)C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C30H39N5O4/c1-19(2)15-24-28(36)32-26(23-16-20-7-5-6-8-21(20)17-23)29(37)35(24)27(30(38)34-11-13-39-14-12-34)22-9-10-25(31-18-22)33(3)4/h5-10,18-19,23-24,26-27H,11-17H2,1-4H3,(H,32,36)/t24-,26-,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384835
(CHEMBL2037492)Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C29H36N4O4/c1-18(2)14-24-27(34)31-25(23-15-20-6-4-5-7-21(20)16-23)28(35)33(24)26(22-9-8-19(3)30-17-22)29(36)32-10-12-37-13-11-32/h4-9,17-18,23-26H,10-16H2,1-3H3,(H,31,34)/t24-,25-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384821
(CHEMBL2037509)Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)NC)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C27H34N4O3/c1-6-15(2)23-26(33)30-22(20-13-18-9-7-8-10-19(18)14-20)27(34)31(23)24(25(32)28-5)21-12-11-16(3)29-17(21)4/h7-12,15,20,22-24H,6,13-14H2,1-5H3,(H,28,32)(H,30,33)/t15-,22+,23+,24+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384814
(CHEMBL2037486)Show SMILES COc1ccc(cn1)[C@@H](N1[C@H](CC(C)C)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)C(=O)N(C)C |r| Show InChI InChI=1S/C27H34N4O4/c1-16(2)12-21-25(32)29-23(20-13-17-8-6-7-9-18(17)14-20)26(33)31(21)24(27(34)30(3)4)19-10-11-22(35-5)28-15-19/h6-11,15-16,20-21,23-24H,12-14H2,1-5H3,(H,29,32)/t21-,23-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50071414
((6aR,10aR)-3-((1S,2R)-1,2-Dimethyl-heptyl)-6,6,9-t...)Show SMILES CCCCC[C@@H](C)[C@H](C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:17| Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-17(3)18(4)19-14-22(26)24-20-13-16(2)11-12-21(20)25(5,6)27-23(24)15-19/h11,14-15,17-18,20-21,26H,7-10,12-13H2,1-6H3/t17-,18+,20-,21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clemson University
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for the cannabinoid brain receptor (CB1) using [3H]- CP-55,940 |
Bioorg Med Chem Lett 8: 2223-6 (1999)
BindingDB Entry DOI: 10.7270/Q2KW5F78 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50071413
((6aR,10aR)-3-((1S,2R)-1,2-Dimethyl-heptyl)-9-hydro...)Show SMILES CCCCC[C@@H](C)[C@H](C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |c:18| Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-16(2)17(3)19-13-22(27)24-20-12-18(15-26)10-11-21(20)25(4,5)28-23(24)14-19/h10,13-14,16-17,20-21,26-27H,6-9,11-12,15H2,1-5H3/t16-,17+,20-,21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clemson University
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for the cannabinoid brain receptor (CB1) using [3H]- CP-55,940 |
Bioorg Med Chem Lett 8: 2223-6 (1999)
BindingDB Entry DOI: 10.7270/Q2KW5F78 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384804
(CHEMBL2037500)Show SMILES CC[C@@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C29H36N4O4/c1-4-18(2)25-27(34)31-24(23-15-20-7-5-6-8-21(20)16-23)28(35)33(25)26(22-10-9-19(3)30-17-22)29(36)32-11-13-37-14-12-32/h5-10,17-18,23-26H,4,11-16H2,1-3H3,(H,31,34)/t18-,24-,25-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384809
(CHEMBL2037493)Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N2CCCC2)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C29H36N4O3/c1-18(2)14-24-27(34)31-25(23-15-20-8-4-5-9-21(20)16-23)28(35)33(24)26(22-11-10-19(3)30-17-22)29(36)32-12-6-7-13-32/h4-5,8-11,17-18,23-26H,6-7,12-16H2,1-3H3,(H,31,34)/t24-,25-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50067499
((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18| Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clemson University
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for the Cannabinoid receptor using [3H]- CP-55,940 as radioligand |
Bioorg Med Chem Lett 8: 2223-6 (1999)
BindingDB Entry DOI: 10.7270/Q2KW5F78 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50067735
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl...)Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:17| Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11,15-16,19-20,26H,7-10,12-14H2,1-6H3/t19-,20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Clemson University
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for the cannabinoid brain receptor (CB1) using [3H]- CP-55,940 |
Bioorg Med Chem Lett 8: 2223-6 (1999)
BindingDB Entry DOI: 10.7270/Q2KW5F78 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384801
(CHEMBL2037504)Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N(C)C)c2cc(C)cnc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C28H36N4O3/c1-7-17(3)24-26(33)30-23(21-13-19-10-8-9-11-20(19)14-21)27(34)32(24)25(28(35)31(5)6)22-12-16(2)15-29-18(22)4/h8-12,15,17,21,23-25H,7,13-14H2,1-6H3,(H,30,33)/t17-,23+,24+,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384839
(CHEMBL2037505)Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2cc(C)cnc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C30H38N4O4/c1-5-19(3)26-28(35)32-25(23-15-21-8-6-7-9-22(21)16-23)29(36)34(26)27(24-14-18(2)17-31-20(24)4)30(37)33-10-12-38-13-11-33/h6-9,14,17,19,23,25-27H,5,10-13,15-16H2,1-4H3,(H,32,35)/t19-,25+,26+,27+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Kynurenine 3-monooxygenase
(Homo sapiens (Human)) | BDBM50266064
(CHEMBL4104310)Show InChI InChI=1S/C16H13ClN2O5/c17-11-7-12-14(24-16(22)19(12)6-4-15(20)21)8-13(11)23-9-10-3-1-2-5-18-10/h1-3,5,7-8H,4,6,9H2,(H,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full length human GST-tagged KMO expressed in baculovirus infected Sf9 insect cell membranes using kynurenine as substrate measured aft... |
J Med Chem 60: 3383-3404 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00055
BindingDB Entry DOI: 10.7270/Q26112SB |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384806
(CHEMBL2037498)Show SMILES CC[C@@H](C)[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C27H34N4O3/c1-6-16(2)23-25(32)29-22(21-13-18-9-7-8-10-19(18)14-21)26(33)31(23)24(27(34)30(4)5)20-12-11-17(3)28-15-20/h7-12,15-16,21-24H,6,13-14H2,1-5H3,(H,29,32)/t16-,22-,23-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50372608
(CHEMBL429736 | GSK-221149A)Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22+,23+,24+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to human oxytocin receptor |
Bioorg Med Chem Lett 18: 90-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.008
BindingDB Entry DOI: 10.7270/Q2XD12H2 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384833
(CHEMBL2037502)Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(C)[n+]([O-])c2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C27H34N4O4/c1-6-16(2)23-25(32)28-22(21-13-18-9-7-8-10-19(18)14-21)26(33)31(23)24(27(34)29(4)5)20-12-11-17(3)30(35)15-20/h7-12,15-16,21-24H,6,13-14H2,1-5H3,(H,28,32)/t16-,22+,23+,24+/m0/s1 | PDB
Reactome pathway
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PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384802
(CHEMBL2037503)Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)NC)c2cc(C)cnc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C27H34N4O3/c1-6-16(3)23-26(33)30-22(20-12-18-9-7-8-10-19(18)13-20)27(34)31(23)24(25(32)28-5)21-11-15(2)14-29-17(21)4/h7-11,14,16,20,22-24H,6,12-13H2,1-5H3,(H,28,32)(H,30,33)/t16-,22+,23+,24+/m0/s1 | PDB
Reactome pathway
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PubMed
| 1.26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384810
(CHEMBL2037491)Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C27H34N4O3/c1-16(2)12-22-25(32)29-23(21-13-18-8-6-7-9-19(18)14-21)26(33)31(22)24(27(34)30(4)5)20-11-10-17(3)28-15-20/h6-11,15-16,21-24H,12-14H2,1-5H3,(H,29,32)/t22-,23-,24-/m1/s1 | PDB
Reactome pathway
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PubMed
| 1.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384813
(CHEMBL2037488)Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(=O)[nH]c2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C26H32N4O4/c1-15(2)11-20-24(32)28-22(19-12-16-7-5-6-8-17(16)13-19)25(33)30(20)23(26(34)29(3)4)18-9-10-21(31)27-14-18/h5-10,14-15,19-20,22-23H,11-13H2,1-4H3,(H,27,31)(H,28,32)/t20-,22-,23-/m1/s1 | PDB
Reactome pathway
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| 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384831
(CHEMBL2035009)Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccccc2Cl)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C28H34ClN3O3/c1-16(2)13-23-26(33)31-24(20-14-18-9-5-6-10-19(18)15-20)28(35)32(23)25(27(34)30-17(3)4)21-11-7-8-12-22(21)29/h5-12,16-17,20,23-25H,13-15H2,1-4H3,(H,30,34)(H,31,33)/t23-,24-,25-/m1/s1 | PDB
Reactome pathway
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PubMed
| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human oxytocin receptor assessed as inhibition of oxytocin binding by FLIPR analysis |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50372608
(CHEMBL429736 | GSK-221149A)Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22+,23+,24+/m0/s1 | PDB
Reactome pathway
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PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant oxytocin receptor |
Bioorg Med Chem Lett 18: 90-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.008
BindingDB Entry DOI: 10.7270/Q2XD12H2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384807
(CHEMBL2037495)Show SMILES Cc1ccc(cn1)[C@@H](N1[C@H](CC2CC2)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C29H34N4O4/c1-18-6-9-22(17-30-18)26(29(36)32-10-12-37-13-11-32)33-24(14-19-7-8-19)27(34)31-25(28(33)35)23-15-20-4-2-3-5-21(20)16-23/h2-6,9,17,19,23-26H,7-8,10-16H2,1H3,(H,31,34)/t24-,25-,26-/m1/s1 | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| 5.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384808
(CHEMBL2037494)Show SMILES CN(C)C(=O)[C@H](N1[C@H](CC2CC2)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)c1ccc(C)nc1 |r| Show InChI InChI=1S/C27H32N4O3/c1-16-8-11-20(15-28-16)24(27(34)30(2)3)31-22(12-17-9-10-17)25(32)29-23(26(31)33)21-13-18-6-4-5-7-19(18)14-21/h4-8,11,15,17,21-24H,9-10,12-14H2,1-3H3,(H,29,32)/t22-,23-,24-/m1/s1 | PDB
Reactome pathway
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UniChem
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PubMed
| 5.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384830
(CHEMBL2035010)Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccccc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C29H37N3O3/c1-17(2)14-24-27(33)31-25(22-15-20-11-7-8-12-21(20)16-22)29(35)32(24)26(28(34)30-18(3)4)23-13-9-6-10-19(23)5/h6-13,17-18,22,24-26H,14-16H2,1-5H3,(H,30,34)(H,31,33)/t24-,25-,26-/m1/s1 | PDB
Reactome pathway
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UniChem
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PubMed
| 7.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human oxytocin receptor assessed as inhibition of oxytocin binding by FLIPR analysis |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50177595
((2S)-5-amino-2-{[(2S)-1-{[(4R,7S,10S,13S,16R)-13-[...)Show SMILES CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)[C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)cc1 |r| Show InChI InChI=1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36-/m0/s1 | PDB
Reactome pathway
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to human oxytocin receptor |
Bioorg Med Chem Lett 18: 90-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.008
BindingDB Entry DOI: 10.7270/Q2XD12H2 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384829
(CHEMBL2035011)Show SMILES CCc1ccccc1[C@@H](N1[C@H](CC(C)C)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)C(=O)NC(C)C |r| Show InChI InChI=1S/C30H39N3O3/c1-6-20-11-9-10-14-24(20)27(29(35)31-19(4)5)33-25(15-18(2)3)28(34)32-26(30(33)36)23-16-21-12-7-8-13-22(21)17-23/h7-14,18-19,23,25-27H,6,15-17H2,1-5H3,(H,31,35)(H,32,34)/t25-,26-,27-/m1/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
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UniChem
Similars
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PubMed
| 15.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human oxytocin receptor assessed as inhibition of oxytocin binding by FLIPR analysis |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384832
(CHEMBL2035012)Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccccc2C(F)(F)F)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C29H34F3N3O3/c1-16(2)13-23-26(36)34-24(20-14-18-9-5-6-10-19(18)15-20)28(38)35(23)25(27(37)33-17(3)4)21-11-7-8-12-22(21)29(30,31)32/h5-12,16-17,20,23-25H,13-15H2,1-4H3,(H,33,37)(H,34,36)/t23-,24-,25-/m1/s1 | PDB
Reactome pathway
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UniChem
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PubMed
| 31.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human oxytocin receptor assessed as inhibition of oxytocin binding by FLIPR analysis |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384828
(CHEMBL2035013)Show SMILES COc1ccccc1[C@@H](N1[C@H](CC(C)C)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)C(=O)NC(C)C |r| Show InChI InChI=1S/C29H37N3O4/c1-17(2)14-23-27(33)31-25(21-15-19-10-6-7-11-20(19)16-21)29(35)32(23)26(28(34)30-18(3)4)22-12-8-9-13-24(22)36-5/h6-13,17-18,21,23,25-26H,14-16H2,1-5H3,(H,30,34)(H,31,33)/t23-,25-,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 31.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human oxytocin receptor assessed as inhibition of oxytocin binding by FLIPR analysis |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50177595
((2S)-5-amino-2-{[(2S)-1-{[(4R,7S,10S,13S,16R)-13-[...)Show SMILES CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)[C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)cc1 |r| Show InChI InChI=1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36-/m0/s1 | PDB
Reactome pathway
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant oxytocin receptor |
Bioorg Med Chem Lett 18: 90-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.008
BindingDB Entry DOI: 10.7270/Q2XD12H2 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50384827
(CHEMBL2035014)Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccccc2OC(F)(F)F)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C29H34F3N3O4/c1-16(2)13-22-26(36)34-24(20-14-18-9-5-6-10-19(18)15-20)28(38)35(22)25(27(37)33-17(3)4)21-11-7-8-12-23(21)39-29(30,31)32/h5-12,16-17,20,22,24-25H,13-15H2,1-4H3,(H,33,37)(H,34,36)/t22-,24-,25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 39.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human oxytocin receptor assessed as inhibition of oxytocin binding by FLIPR analysis |
J Med Chem 55: 783-96 (2012)
Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH |
More data for this
Ligand-Target Pair | |
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