Found 19 hits of Enzyme Inhibition Constant Data 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)) | BDBM50205990
(CHEMBL395429 | OXYTOCIN)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [3H]OT from human OT receptor expressed in HEK cells |
Eur J Med Chem 42: 799-806 (2007)
Article DOI: 10.1016/j.ejmech.2006.12.016
BindingDB Entry DOI: 10.7270/Q2P55N5J |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50205997
(CHEMBL395290 | [Pip7]OT)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C44H68N12O12S2/c1-5-23(4)36-43(67)50-27(13-14-33(46)58)39(63)52-30(18-34(47)59)40(64)54-31(21-70-69-20-26(45)37(61)51-29(41(65)55-36)17-24-9-11-25(57)12-10-24)44(68)56-15-7-6-8-32(56)42(66)53-28(16-22(2)3)38(62)49-19-35(48)60/h9-12,22-23,26-32,36,57H,5-8,13-21,45H2,1-4H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,62)(H,50,67)(H,51,61)(H,52,63)(H,53,66)(H,54,64)(H,55,65)/t23-,26-,27-,28-,29-,30-,31-,32-,36?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [3H]OT from human OT receptor expressed in HEK cells |
Eur J Med Chem 42: 799-806 (2007)
Article DOI: 10.1016/j.ejmech.2006.12.016
BindingDB Entry DOI: 10.7270/Q2P55N5J |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50205999
(CHEMBL434193 | [Mpa1, D-Tyr(Et)2, D-Tic7, D-Tic9]O...)Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N2Cc3ccccc3C[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cc1 Show InChI InChI=1S/C58H77N11O12S2/c1-6-33(5)50-56(78)63-40(20-21-47(59)70)52(74)64-42(28-48(60)71)53(75)66-44(31-83-82-23-22-49(72)62-41(54(76)67-50)25-34-16-18-39(19-17-34)81-7-2)58(80)69-30-38-15-11-9-13-36(38)27-46(69)55(77)65-43(24-32(3)4)57(79)68-29-37-14-10-8-12-35(37)26-45(68)51(61)73/h8-19,32-33,40-46,50H,6-7,20-31H2,1-5H3,(H2,59,70)(H2,60,71)(H2,61,73)(H,62,72)(H,63,78)(H,64,74)(H,65,77)(H,66,75)(H,67,76)/t33-,40-,41-,42-,43-,44-,45+,46+,50?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [3H]OT from human OT receptor expressed in HEK cells |
Eur J Med Chem 42: 799-806 (2007)
Article DOI: 10.1016/j.ejmech.2006.12.016
BindingDB Entry DOI: 10.7270/Q2P55N5J |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50205989
(CHEMBL393020 | [Mpa1, D-Tyr(Et)2, Pip7]OT)Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N2CCCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)cc1 Show InChI InChI=1S/C46H71N11O12S2/c1-6-26(5)39-45(67)52-29(15-16-35(47)58)41(63)53-32(22-36(48)59)42(64)55-33(24-71-70-19-17-38(61)51-31(43(65)56-39)21-27-11-13-28(14-12-27)69-7-2)46(68)57-18-9-8-10-34(57)44(66)54-30(20-25(3)4)40(62)50-23-37(49)60/h11-14,25-26,29-34,39H,6-10,15-24H2,1-5H3,(H2,47,58)(H2,48,59)(H2,49,60)(H,50,62)(H,51,61)(H,52,67)(H,53,63)(H,54,66)(H,55,64)(H,56,65)/t26-,29-,30-,31-,32-,33-,34-,39?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [3H]OT from human OT receptor expressed in HEK cells |
Eur J Med Chem 42: 799-806 (2007)
Article DOI: 10.1016/j.ejmech.2006.12.016
BindingDB Entry DOI: 10.7270/Q2P55N5J |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50205986
(CHEMBL233328 | [Mpa1, D-Tyr(Et)2, D-Tic7]OT)Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N2Cc3ccccc3C[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)cc1 Show InChI InChI=1S/C50H71N11O12S2/c1-6-28(5)43-49(71)56-33(16-17-39(51)62)45(67)57-36(23-40(52)63)46(68)59-37(26-75-74-19-18-42(65)55-35(47(69)60-43)21-29-12-14-32(15-13-29)73-7-2)50(72)61-25-31-11-9-8-10-30(31)22-38(61)48(70)58-34(20-27(3)4)44(66)54-24-41(53)64/h8-15,27-28,33-38,43H,6-7,16-26H2,1-5H3,(H2,51,62)(H2,52,63)(H2,53,64)(H,54,66)(H,55,65)(H,56,71)(H,57,67)(H,58,70)(H,59,68)(H,60,69)/t28-,33-,34-,35-,36-,37-,38+,43?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [3H]OT from human OT receptor expressed in HEK cells |
Eur J Med Chem 42: 799-806 (2007)
Article DOI: 10.1016/j.ejmech.2006.12.016
BindingDB Entry DOI: 10.7270/Q2P55N5J |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50206001
(CHEMBL233080 | [Mpa1, D-Tyr(Et)2, Aib7, D-Tic9]OT)Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N2CCCC[C@@H]2C(N)=O)cc1 Show InChI InChI=1S/C48H75N11O12S2/c1-8-27(5)39-45(68)53-30(17-18-36(49)60)41(64)54-32(24-37(50)61)42(65)55-34(25-73-72-21-19-38(62)52-31(43(66)57-39)23-28-13-15-29(16-14-28)71-9-2)44(67)58-48(6,7)47(70)56-33(22-26(3)4)46(69)59-20-11-10-12-35(59)40(51)63/h13-16,26-27,30-35,39H,8-12,17-25H2,1-7H3,(H2,49,60)(H2,50,61)(H2,51,63)(H,52,62)(H,53,68)(H,54,64)(H,55,65)(H,56,70)(H,57,66)(H,58,67)/t27-,30-,31-,32-,33-,34-,35+,39?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [3H]OT from human OT receptor expressed in HEK cells |
Eur J Med Chem 42: 799-806 (2007)
Article DOI: 10.1016/j.ejmech.2006.12.016
BindingDB Entry DOI: 10.7270/Q2P55N5J |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50206000
(CHEMBL395430 | [Aib7]OT)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C42H66N12O12S2/c1-7-21(4)33-40(65)48-25(12-13-30(44)56)36(61)50-28(16-31(45)57)37(62)51-29(39(64)54-42(5,6)41(66)52-26(14-20(2)3)35(60)47-17-32(46)58)19-68-67-18-24(43)34(59)49-27(38(63)53-33)15-22-8-10-23(55)11-9-22/h8-11,20-21,24-29,33,55H,7,12-19,43H2,1-6H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,65)(H,49,59)(H,50,61)(H,51,62)(H,52,66)(H,53,63)(H,54,64)/t21-,24-,25-,26-,27-,28-,29-,33?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [3H]OT from human OT receptor expressed in HEK cells |
Eur J Med Chem 42: 799-806 (2007)
Article DOI: 10.1016/j.ejmech.2006.12.016
BindingDB Entry DOI: 10.7270/Q2P55N5J |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50205987
(CHEMBL438849 | [Mpa1, D-Tyr(Et)2, D-Tic7, Aib9]OT)Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N2Cc3ccccc3C[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(N)=O)cc1 Show InChI InChI=1S/C52H75N11O12S2/c1-8-29(5)43-49(72)57-34(18-19-40(53)64)44(67)58-37(25-41(54)65)45(68)60-38(27-77-76-21-20-42(66)56-36(46(69)61-43)23-30-14-16-33(17-15-30)75-9-2)50(73)63-26-32-13-11-10-12-31(32)24-39(63)48(71)59-35(22-28(3)4)47(70)62-52(6,7)51(55)74/h10-17,28-29,34-39,43H,8-9,18-27H2,1-7H3,(H2,53,64)(H2,54,65)(H2,55,74)(H,56,66)(H,57,72)(H,58,67)(H,59,71)(H,60,68)(H,61,69)(H,62,70)/t29-,34-,35-,36-,37-,38-,39+,43?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [3H]OT from human OT receptor expressed in HEK cells |
Eur J Med Chem 42: 799-806 (2007)
Article DOI: 10.1016/j.ejmech.2006.12.016
BindingDB Entry DOI: 10.7270/Q2P55N5J |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50205992
(CHEMBL415418 | [Mpa1, L-Tic7]OT)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C48H67N11O12S2/c1-5-26(4)41-47(70)54-31(14-15-37(49)61)43(66)55-34(21-38(50)62)44(67)57-35(24-73-72-17-16-40(64)53-33(45(68)58-41)19-27-10-12-30(60)13-11-27)48(71)59-23-29-9-7-6-8-28(29)20-36(59)46(69)56-32(18-25(2)3)42(65)52-22-39(51)63/h6-13,25-26,31-36,41,60H,5,14-24H2,1-4H3,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,64)(H,54,70)(H,55,66)(H,56,69)(H,57,67)(H,58,68)/t26-,31-,32-,33-,34-,35-,36-,41?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 103 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [3H]OT from human OT receptor expressed in HEK cells |
Eur J Med Chem 42: 799-806 (2007)
Article DOI: 10.1016/j.ejmech.2006.12.016
BindingDB Entry DOI: 10.7270/Q2P55N5J |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50205996
(CHEMBL397407 | [L-Tic7]OT)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C48H68N12O12S2/c1-5-25(4)40-47(71)54-31(14-15-37(50)62)43(67)56-34(19-38(51)63)44(68)58-35(23-74-73-22-30(49)41(65)55-33(45(69)59-40)17-26-10-12-29(61)13-11-26)48(72)60-21-28-9-7-6-8-27(28)18-36(60)46(70)57-32(16-24(2)3)42(66)53-20-39(52)64/h6-13,24-25,30-36,40,61H,5,14-23,49H2,1-4H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,66)(H,54,71)(H,55,65)(H,56,67)(H,57,70)(H,58,68)(H,59,69)/t25-,30-,31-,32-,33-,34-,35-,36-,40?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [3H]OT from human OT receptor expressed in HEK cells |
Eur J Med Chem 42: 799-806 (2007)
Article DOI: 10.1016/j.ejmech.2006.12.016
BindingDB Entry DOI: 10.7270/Q2P55N5J |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50205995
(CHEMBL234377 | [Mpa1, D-Tyr(Et)2, L-Tic7]OT)Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)cc1 Show InChI InChI=1S/C50H71N11O12S2/c1-6-28(5)43-49(71)56-33(16-17-39(51)62)45(67)57-36(23-40(52)63)46(68)59-37(26-75-74-19-18-42(65)55-35(47(69)60-43)21-29-12-14-32(15-13-29)73-7-2)50(72)61-25-31-11-9-8-10-30(31)22-38(61)48(70)58-34(20-27(3)4)44(66)54-24-41(53)64/h8-15,27-28,33-38,43H,6-7,16-26H2,1-5H3,(H2,51,62)(H2,52,63)(H2,53,64)(H,54,66)(H,55,65)(H,56,71)(H,57,67)(H,58,70)(H,59,68)(H,60,69)/t28-,33-,34-,35-,36-,37-,38-,43?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 176 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [3H]OT from human OT receptor expressed in HEK cells |
Eur J Med Chem 42: 799-806 (2007)
Article DOI: 10.1016/j.ejmech.2006.12.016
BindingDB Entry DOI: 10.7270/Q2P55N5J |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50205991
(CHEMBL265630 | [Mpa1, D-Tic7]OT)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C48H67N11O12S2/c1-5-26(4)41-47(70)54-31(14-15-37(49)61)43(66)55-34(21-38(50)62)44(67)57-35(24-73-72-17-16-40(64)53-33(45(68)58-41)19-27-10-12-30(60)13-11-27)48(71)59-23-29-9-7-6-8-28(29)20-36(59)46(69)56-32(18-25(2)3)42(65)52-22-39(51)63/h6-13,25-26,31-36,41,60H,5,14-24H2,1-4H3,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,64)(H,54,70)(H,55,66)(H,56,69)(H,57,67)(H,58,68)/t26-,31-,32-,33-,34-,35-,36+,41?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [3H]OT from human OT receptor expressed in HEK cells |
Eur J Med Chem 42: 799-806 (2007)
Article DOI: 10.1016/j.ejmech.2006.12.016
BindingDB Entry DOI: 10.7270/Q2P55N5J |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50205988
(CHEMBL393021 | [Mpa1, D-Tyr(Et)2, Aib7]OT)Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)cc1 Show InChI InChI=1S/C44H69N11O12S2/c1-8-24(5)36-42(65)50-27(14-15-32(45)56)38(61)51-30(20-33(46)57)39(62)52-31(41(64)55-44(6,7)43(66)53-28(18-23(3)4)37(60)48-21-34(47)58)22-69-68-17-16-35(59)49-29(40(63)54-36)19-25-10-12-26(13-11-25)67-9-2/h10-13,23-24,27-31,36H,8-9,14-22H2,1-7H3,(H2,45,56)(H2,46,57)(H2,47,58)(H,48,60)(H,49,59)(H,50,65)(H,51,61)(H,52,62)(H,53,66)(H,54,63)(H,55,64)/t24-,27-,28-,29-,30-,31-,36-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 485 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [3H]OT from human OT receptor expressed in HEK cells |
Eur J Med Chem 42: 799-806 (2007)
Article DOI: 10.1016/j.ejmech.2006.12.016
BindingDB Entry DOI: 10.7270/Q2P55N5J |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50205985
(CHEMBL435159 | [D-Tic7]OT)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C48H68N12O12S2/c1-5-25(4)40-47(71)54-31(14-15-37(50)62)43(67)56-34(19-38(51)63)44(68)58-35(23-74-73-22-30(49)41(65)55-33(45(69)59-40)17-26-10-12-29(61)13-11-26)48(72)60-21-28-9-7-6-8-27(28)18-36(60)46(70)57-32(16-24(2)3)42(66)53-20-39(52)64/h6-13,24-25,30-36,40,61H,5,14-23,49H2,1-4H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,66)(H,54,71)(H,55,65)(H,56,67)(H,57,70)(H,58,68)(H,59,69)/t25-,30-,31-,32-,33-,34-,35-,36+,40?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [3H]OT from human OT receptor expressed in HEK cells |
Eur J Med Chem 42: 799-806 (2007)
Article DOI: 10.1016/j.ejmech.2006.12.016
BindingDB Entry DOI: 10.7270/Q2P55N5J |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50205993
(CHEMBL441128 | [Mpa1, D-Tyr(Et)2, Gly(But)7]OT)Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(C)(C)C)cc1 Show InChI InChI=1S/C46H73N11O12S2/c1-9-25(5)37-44(67)52-28(15-16-33(47)58)40(63)53-31(21-34(48)59)41(64)55-32(43(66)57-38(46(6,7)8)45(68)54-29(19-24(3)4)39(62)50-22-35(49)60)23-71-70-18-17-36(61)51-30(42(65)56-37)20-26-11-13-27(14-12-26)69-10-2/h11-14,24-25,28-32,37-38H,9-10,15-23H2,1-8H3,(H2,47,58)(H2,48,59)(H2,49,60)(H,50,62)(H,51,61)(H,52,67)(H,53,63)(H,54,68)(H,55,64)(H,56,65)(H,57,66)/t25-,28-,29-,30-,31-,32-,37?,38+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [3H]OT from human OT receptor expressed in HEK cells |
Eur J Med Chem 42: 799-806 (2007)
Article DOI: 10.1016/j.ejmech.2006.12.016
BindingDB Entry DOI: 10.7270/Q2P55N5J |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50205984
(CHEMBL234363 | [Gly(But)7]OT)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(C)(C)C Show InChI InChI=1S/C44H70N12O12S2/c1-8-22(4)34-42(67)50-26(13-14-31(46)58)38(63)52-29(17-32(47)59)39(64)54-30(20-70-69-19-25(45)36(61)51-28(40(65)55-34)16-23-9-11-24(57)12-10-23)41(66)56-35(44(5,6)7)43(68)53-27(15-21(2)3)37(62)49-18-33(48)60/h9-12,21-22,25-30,34-35,57H,8,13-20,45H2,1-7H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,62)(H,50,67)(H,51,61)(H,52,63)(H,53,68)(H,54,64)(H,55,65)(H,56,66)/t22-,25-,26-,27-,28-,29-,30-,34?,35-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [3H]OT from human OT receptor expressed in HEK cells |
Eur J Med Chem 42: 799-806 (2007)
Article DOI: 10.1016/j.ejmech.2006.12.016
BindingDB Entry DOI: 10.7270/Q2P55N5J |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50205994
(CHEMBL232501 | [Mpa1, D-Tyr(Et)2, Gly(But)3, Gly(B...)Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC2=O)C(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(C)(C)C)cc1 Show InChI InChI=1S/C46H73N11O12S2/c1-10-69-26-13-11-25(12-14-26)20-29-41(65)56-36(45(4,5)6)43(67)52-27(15-16-32(47)58)39(63)53-30(21-33(48)59)40(64)55-31(23-71-70-18-17-35(61)51-29)42(66)57-37(46(7,8)9)44(68)54-28(19-24(2)3)38(62)50-22-34(49)60/h11-14,24,27-31,36-37H,10,15-23H2,1-9H3,(H2,47,58)(H2,48,59)(H2,49,60)(H,50,62)(H,51,61)(H,52,67)(H,53,63)(H,54,68)(H,55,64)(H,56,65)(H,57,66)/t27-,28-,29-,30-,31-,36+,37+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [3H]OT from human OT receptor expressed in HEK cells |
Eur J Med Chem 42: 799-806 (2007)
Article DOI: 10.1016/j.ejmech.2006.12.016
BindingDB Entry DOI: 10.7270/Q2P55N5J |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50205983
(CHEMBL394268 | [Mpa1, D-Tic2, Aib7]OT)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H]2Cc3ccccc3CN2C(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C43H65N11O11S2/c1-7-23(4)35-41(64)48-26(12-13-31(44)55)37(60)49-28(18-32(45)56)38(61)50-29(39(62)53-43(5,6)42(65)51-27(16-22(2)3)36(59)47-19-33(46)57)21-67-66-15-14-34(58)54-20-25-11-9-8-10-24(25)17-30(54)40(63)52-35/h8-11,22-23,26-30,35H,7,12-21H2,1-6H3,(H2,44,55)(H2,45,56)(H2,46,57)(H,47,59)(H,48,64)(H,49,60)(H,50,61)(H,51,65)(H,52,63)(H,53,62)/t23-,26-,27-,28-,29-,30+,35?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [3H]OT from human OT receptor expressed in HEK cells |
Eur J Med Chem 42: 799-806 (2007)
Article DOI: 10.1016/j.ejmech.2006.12.016
BindingDB Entry DOI: 10.7270/Q2P55N5J |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50205998
(CHEMBL415417 | [Gly(But)3, Gly(But)7]OT)Show SMILES CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(C)(C)C)C(C)(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C44H70N12O12S2/c1-21(2)15-26(36(62)49-18-32(48)60)53-42(68)34(44(6,7)8)56-40(66)29-20-70-69-19-24(45)35(61)51-27(16-22-9-11-23(57)12-10-22)39(65)55-33(43(3,4)5)41(67)50-25(13-14-30(46)58)37(63)52-28(17-31(47)59)38(64)54-29/h9-12,21,24-29,33-34,57H,13-20,45H2,1-8H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,62)(H,50,67)(H,51,61)(H,52,63)(H,53,68)(H,54,64)(H,55,65)(H,56,66)/t24-,25-,26-,27-,28-,29-,33+,34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [3H]OT from human OT receptor expressed in HEK cells |
Eur J Med Chem 42: 799-806 (2007)
Article DOI: 10.1016/j.ejmech.2006.12.016
BindingDB Entry DOI: 10.7270/Q2P55N5J |
More data for this
Ligand-Target Pair | |
Search and Browse
