Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50008646 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 |
|---|
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50075724
(4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(5C-...)Show SMILES CN(C)c1ccc2c(Oc3cc(ccc3C22OC(=O)c3cc(ccc23)C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)CCc2ccc(O)cc2)N(C)C)c1 Show InChI InChI=1S/C79H96N16O16/c1-91(2)49-24-31-55-64(42-49)110-65-43-50(92(3)4)25-32-56(65)79(55)54-30-23-48(41-53(54)77(109)111-79)74(106)95(61(69(83)101)16-9-10-36-80)76(108)62-17-12-38-94(62)75(107)58(15-11-37-86-78(84)85)88-72(104)60(44-67(82)99)89-70(102)57(33-34-66(81)98)87-71(103)59(39-46-13-7-6-8-14-46)90-73(105)63(40-47-20-28-52(97)29-21-47)93(5)68(100)35-22-45-18-26-51(96)27-19-45/h6-8,13-14,18-21,23-32,41-43,57-63,96-97H,9-12,15-17,22,33-40,44,80H2,1-5H3,(H2,81,98)(H2,82,99)(H2,83,101)(H,87,103)(H,88,104)(H,89,102)(H,90,105)(H4,84,85,86)/t57-,58-,59-,60-,61-,62-,63+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells |
J Med Chem 42: 1312-9 (1999)
Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50075720
((HO-LVA23)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-4-H...)Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)Cc1ccc(O)cc1 Show InChI InChI=1S/C53H74N16O12/c1-68(44(74)28-32-15-19-34(71)20-16-32)41(27-31-13-17-33(70)18-14-31)50(80)67-38(26-30-8-3-2-4-9-30)47(77)64-36(21-22-42(54)72)46(76)66-39(29-43(55)73)48(78)65-37(11-6-24-62-53(59)60)51(81)69-25-7-12-40(69)49(79)63-35(45(56)75)10-5-23-61-52(57)58/h2-4,8-9,13-20,35-41,70-71H,5-7,10-12,21-29H2,1H3,(H2,54,72)(H2,55,73)(H2,56,75)(H,63,79)(H,64,77)(H,65,78)(H,66,76)(H,67,80)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells |
J Med Chem 42: 1312-9 (1999)
Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50075722
(4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(5C-...)Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)CCc1ccc(O)cc1 Show InChI InChI=1S/C75H86N14O18/c1-87(64(96)31-18-41-14-20-45(90)21-15-41)59(36-43-16-22-46(91)23-17-43)69(101)86-55(35-42-9-3-2-4-10-42)67(99)83-53(29-30-62(77)94)66(98)85-56(40-63(78)95)68(100)84-54(11-7-33-82-74(80)81)71(103)88-34-8-13-58(88)72(104)89(57(65(79)97)12-5-6-32-76)70(102)44-19-26-50-49(37-44)73(105)107-75(50)51-27-24-47(92)38-60(51)106-61-39-48(93)25-28-52(61)75/h2-4,9-10,14-17,19-28,37-39,53-59,90-93H,5-8,11-13,18,29-36,40,76H2,1H3,(H2,77,94)(H2,78,95)(H2,79,97)(H,83,99)(H,84,100)(H,85,98)(H,86,101)(H4,80,81,82)/t53-,54-,55-,56-,57-,58-,59+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells |
J Med Chem 42: 1312-9 (1999)
Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50075725
(4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(6C-...)Show SMILES CN(C)c1ccc2c(Oc3cc(ccc3C22OC(=O)c3ccc(cc23)C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)CCc2ccc(O)cc2)N(C)C)c1 Show InChI InChI=1S/C79H96N16O16/c1-91(2)49-24-31-54-64(42-49)110-65-43-50(92(3)4)25-32-55(65)79(54)56-41-48(23-30-53(56)77(109)111-79)74(106)95(61(69(83)101)16-9-10-36-80)76(108)62-17-12-38-94(62)75(107)58(15-11-37-86-78(84)85)88-72(104)60(44-67(82)99)89-70(102)57(33-34-66(81)98)87-71(103)59(39-46-13-7-6-8-14-46)90-73(105)63(40-47-20-28-52(97)29-21-47)93(5)68(100)35-22-45-18-26-51(96)27-19-45/h6-8,13-14,18-21,23-32,41-43,57-63,96-97H,9-12,15-17,22,33-40,44,80H2,1-5H3,(H2,81,98)(H2,82,99)(H2,83,101)(H,87,103)(H,88,104)(H,89,102)(H,90,105)(H4,84,85,86)/t57-,58-,59-,60-,61-,62-,63+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells |
J Med Chem 42: 1312-9 (1999)
Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50075728
(4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(6C-...)Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)CCc1ccc(O)cc1 Show InChI InChI=1S/C75H86N14O18/c1-87(64(96)31-18-41-14-20-45(90)21-15-41)59(36-43-16-22-46(91)23-17-43)69(101)86-55(35-42-9-3-2-4-10-42)67(99)83-53(29-30-62(77)94)66(98)85-56(40-63(78)95)68(100)84-54(11-7-33-82-74(80)81)71(103)88-34-8-13-58(88)72(104)89(57(65(79)97)12-5-6-32-76)70(102)44-19-26-49-52(37-44)75(107-73(49)105)50-27-24-47(92)38-60(50)106-61-39-48(93)25-28-51(61)75/h2-4,9-10,14-17,19-28,37-39,53-59,90-93H,5-8,11-13,18,29-36,40,76H2,1H3,(H2,77,94)(H2,78,95)(H2,79,97)(H,83,99)(H,84,100)(H,85,98)(H,86,101)(H4,80,81,82)/t53-,54-,55-,56-,57-,58-,59+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells |
J Med Chem 42: 1312-9 (1999)
Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50075721
((LVA)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-phenylac...)Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)Cc1ccccc1 Show InChI InChI=1S/C53H74N16O11/c1-68(44(73)29-32-13-6-3-7-14-32)41(28-33-18-20-34(70)21-19-33)50(79)67-38(27-31-11-4-2-5-12-31)47(76)64-36(22-23-42(54)71)46(75)66-39(30-43(55)72)48(77)65-37(16-9-25-62-53(59)60)51(80)69-26-10-17-40(69)49(78)63-35(45(56)74)15-8-24-61-52(57)58/h2-7,11-14,18-21,35-41,70H,8-10,15-17,22-30H2,1H3,(H2,54,71)(H2,55,72)(H2,56,74)(H,63,78)(H,64,76)(H,65,77)(H,66,75)(H,67,79)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells |
J Med Chem 42: 1312-9 (1999)
Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50075721
((LVA)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-phenylac...)Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)Cc1ccccc1 Show InChI InChI=1S/C53H74N16O11/c1-68(44(73)29-32-13-6-3-7-14-32)41(28-33-18-20-34(70)21-19-33)50(79)67-38(27-31-11-4-2-5-12-31)47(76)64-36(22-23-42(54)71)46(75)66-39(30-43(55)72)48(77)65-37(16-9-25-62-53(59)60)51(80)69-26-10-17-40(69)49(78)63-35(45(56)74)15-8-24-61-52(57)58/h2-7,11-14,18-21,35-41,70H,8-10,15-17,22-30H2,1H3,(H2,54,71)(H2,55,72)(H2,56,74)(H,63,78)(H,64,76)(H,65,77)(H,66,75)(H,67,79)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of... |
J Med Chem 42: 1312-9 (1999)
Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50075724
(4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(5C-...)Show SMILES CN(C)c1ccc2c(Oc3cc(ccc3C22OC(=O)c3cc(ccc23)C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)CCc2ccc(O)cc2)N(C)C)c1 Show InChI InChI=1S/C79H96N16O16/c1-91(2)49-24-31-55-64(42-49)110-65-43-50(92(3)4)25-32-56(65)79(55)54-30-23-48(41-53(54)77(109)111-79)74(106)95(61(69(83)101)16-9-10-36-80)76(108)62-17-12-38-94(62)75(107)58(15-11-37-86-78(84)85)88-72(104)60(44-67(82)99)89-70(102)57(33-34-66(81)98)87-71(103)59(39-46-13-7-6-8-14-46)90-73(105)63(40-47-20-28-52(97)29-21-47)93(5)68(100)35-22-45-18-26-51(96)27-19-45/h6-8,13-14,18-21,23-32,41-43,57-63,96-97H,9-12,15-17,22,33-40,44,80H2,1-5H3,(H2,81,98)(H2,82,99)(H2,83,101)(H,87,103)(H,88,104)(H,89,102)(H,90,105)(H4,84,85,86)/t57-,58-,59-,60-,61-,62-,63+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of... |
J Med Chem 42: 1312-9 (1999)
Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50075727
(4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Lys(5C-Rhm)-Pro...)Show SMILES CN(C)c1ccc2c(Oc3cc(ccc3C22OC(=O)c3cc(ccc23)C(=O)N([C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)CCc2ccc(O)cc2)N(C)C)c1 Show InChI InChI=1S/C79H96N16O16/c1-91(2)49-24-31-55-64(42-49)110-65-43-50(92(3)4)25-32-56(65)79(55)54-30-23-48(41-53(54)77(109)111-79)74(106)95(62(16-9-10-36-80)76(108)94-38-12-17-61(94)72(104)87-57(69(83)101)15-11-37-86-78(84)85)75(107)60(44-67(82)99)90-70(102)58(33-34-66(81)98)88-71(103)59(39-46-13-7-6-8-14-46)89-73(105)63(40-47-20-28-52(97)29-21-47)93(5)68(100)35-22-45-18-26-51(96)27-19-45/h6-8,13-14,18-21,23-32,41-43,57-63,96-97H,9-12,15-17,22,33-40,44,80H2,1-5H3,(H2,81,98)(H2,82,99)(H2,83,101)(H,87,104)(H,88,103)(H,89,105)(H,90,102)(H4,84,85,86)/t57-,58-,59-,60-,61-,62-,63+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells |
J Med Chem 42: 1312-9 (1999)
Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50075722
(4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(5C-...)Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)CCc1ccc(O)cc1 Show InChI InChI=1S/C75H86N14O18/c1-87(64(96)31-18-41-14-20-45(90)21-15-41)59(36-43-16-22-46(91)23-17-43)69(101)86-55(35-42-9-3-2-4-10-42)67(99)83-53(29-30-62(77)94)66(98)85-56(40-63(78)95)68(100)84-54(11-7-33-82-74(80)81)71(103)88-34-8-13-58(88)72(104)89(57(65(79)97)12-5-6-32-76)70(102)44-19-26-50-49(37-44)73(105)107-75(50)51-27-24-47(92)38-60(51)106-61-39-48(93)25-28-52(61)75/h2-4,9-10,14-17,19-28,37-39,53-59,90-93H,5-8,11-13,18,29-36,40,76H2,1H3,(H2,77,94)(H2,78,95)(H2,79,97)(H,83,99)(H,84,100)(H,85,98)(H,86,101)(H4,80,81,82)/t53-,54-,55-,56-,57-,58-,59+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of... |
J Med Chem 42: 1312-9 (1999)
Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50075720
((HO-LVA23)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-4-H...)Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)Cc1ccc(O)cc1 Show InChI InChI=1S/C53H74N16O12/c1-68(44(74)28-32-15-19-34(71)20-16-32)41(27-31-13-17-33(70)18-14-31)50(80)67-38(26-30-8-3-2-4-9-30)47(77)64-36(21-22-42(54)72)46(76)66-39(29-43(55)73)48(78)65-37(11-6-24-62-53(59)60)51(81)69-25-7-12-40(69)49(79)63-35(45(56)75)10-5-23-61-52(57)58/h2-4,8-9,13-20,35-41,70-71H,5-7,10-12,21-29H2,1H3,(H2,54,72)(H2,55,73)(H2,56,75)(H,63,79)(H,64,77)(H,65,78)(H,66,76)(H,67,80)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1 | PDB
Reactome pathway
KEGG
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PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of... |
J Med Chem 42: 1312-9 (1999)
Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50075729
(4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Lys(6C-Rhm)-Pro...)Show SMILES CN(C)c1ccc2c(Oc3cc(ccc3C22OC(=O)c3ccc(cc23)C(=O)N([C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)CCc2ccc(O)cc2)N(C)C)c1 Show InChI InChI=1S/C79H96N16O16/c1-91(2)49-24-31-54-64(42-49)110-65-43-50(92(3)4)25-32-55(65)79(54)56-41-48(23-30-53(56)77(109)111-79)74(106)95(62(16-9-10-36-80)76(108)94-38-12-17-61(94)72(104)87-57(69(83)101)15-11-37-86-78(84)85)75(107)60(44-67(82)99)90-70(102)58(33-34-66(81)98)88-71(103)59(39-46-13-7-6-8-14-46)89-73(105)63(40-47-20-28-52(97)29-21-47)93(5)68(100)35-22-45-18-26-51(96)27-19-45/h6-8,13-14,18-21,23-32,41-43,57-63,96-97H,9-12,15-17,22,33-40,44,80H2,1-5H3,(H2,81,98)(H2,82,99)(H2,83,101)(H,87,104)(H,88,103)(H,89,105)(H,90,102)(H4,84,85,86)/t57-,58-,59-,60-,61-,62-,63+/m0/s1 | PDB
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antibodypedia
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| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells |
J Med Chem 42: 1312-9 (1999)
Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50075723
(4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Lys(5C-Flu)-Pro...)Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N([C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)CCc1ccc(O)cc1 Show InChI InChI=1S/C75H86N14O18/c1-87(64(96)31-18-41-14-20-45(90)21-15-41)59(36-43-16-22-46(91)23-17-43)69(101)85-55(35-42-9-3-2-4-10-42)67(99)84-54(29-30-62(77)94)66(98)86-56(40-63(78)95)71(103)89(58(12-5-6-32-76)72(104)88-34-8-13-57(88)68(100)83-53(65(79)97)11-7-33-82-74(80)81)70(102)44-19-26-50-49(37-44)73(105)107-75(50)51-27-24-47(92)38-60(51)106-61-39-48(93)25-28-52(61)75/h2-4,9-10,14-17,19-28,37-39,53-59,90-93H,5-8,11-13,18,29-36,40,76H2,1H3,(H2,77,94)(H2,78,95)(H2,79,97)(H,83,100)(H,84,99)(H,85,101)(H,86,98)(H4,80,81,82)/t53-,54-,55-,56-,57-,58-,59+/m0/s1 | PDB
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| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells |
J Med Chem 42: 1312-9 (1999)
Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50075720
((HO-LVA23)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-4-H...)Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)Cc1ccc(O)cc1 Show InChI InChI=1S/C53H74N16O12/c1-68(44(74)28-32-15-19-34(71)20-16-32)41(27-31-13-17-33(70)18-14-31)50(80)67-38(26-30-8-3-2-4-9-30)47(77)64-36(21-22-42(54)72)46(76)66-39(29-43(55)73)48(78)65-37(11-6-24-62-53(59)60)51(81)69-25-7-12-40(69)49(79)63-35(45(56)75)10-5-23-61-52(57)58/h2-4,8-9,13-20,35-41,70-71H,5-7,10-12,21-29H2,1H3,(H2,54,72)(H2,55,73)(H2,56,75)(H,63,79)(H,64,77)(H,65,78)(H,66,76)(H,67,80)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1 | UniProtKB/SwissProt
antibodypedia
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| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Compound was tested for its ability to displace [125I]- HO-LVA ligand from human Vasopressin V1b receptor in the membranes of CHO cells |
J Med Chem 42: 1312-9 (1999)
Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50075721
((LVA)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-phenylac...)Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)Cc1ccccc1 Show InChI InChI=1S/C53H74N16O11/c1-68(44(73)29-32-13-6-3-7-14-32)41(28-33-18-20-34(70)21-19-33)50(79)67-38(27-31-11-4-2-5-12-31)47(76)64-36(22-23-42(54)71)46(75)66-39(30-43(55)72)48(77)65-37(16-9-25-62-53(59)60)51(80)69-26-10-17-40(69)49(78)63-35(45(56)74)15-8-24-61-52(57)58/h2-7,11-14,18-21,35-41,70H,8-10,15-17,22-30H2,1H3,(H2,54,71)(H2,55,72)(H2,56,74)(H,63,78)(H,64,76)(H,65,77)(H,66,75)(H,67,79)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1 | UniProtKB/SwissProt
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| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of... |
J Med Chem 42: 1312-9 (1999)
Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50075724
(4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(5C-...)Show SMILES CN(C)c1ccc2c(Oc3cc(ccc3C22OC(=O)c3cc(ccc23)C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)CCc2ccc(O)cc2)N(C)C)c1 Show InChI InChI=1S/C79H96N16O16/c1-91(2)49-24-31-55-64(42-49)110-65-43-50(92(3)4)25-32-56(65)79(55)54-30-23-48(41-53(54)77(109)111-79)74(106)95(61(69(83)101)16-9-10-36-80)76(108)62-17-12-38-94(62)75(107)58(15-11-37-86-78(84)85)88-72(104)60(44-67(82)99)89-70(102)57(33-34-66(81)98)87-71(103)59(39-46-13-7-6-8-14-46)90-73(105)63(40-47-20-28-52(97)29-21-47)93(5)68(100)35-22-45-18-26-51(96)27-19-45/h6-8,13-14,18-21,23-32,41-43,57-63,96-97H,9-12,15-17,22,33-40,44,80H2,1-5H3,(H2,81,98)(H2,82,99)(H2,83,101)(H,87,103)(H,88,104)(H,89,102)(H,90,105)(H4,84,85,86)/t57-,58-,59-,60-,61-,62-,63+/m0/s1 | UniProtKB/SwissProt
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of... |
J Med Chem 42: 1312-9 (1999)
Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50075720
((HO-LVA23)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-4-H...)Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)Cc1ccc(O)cc1 Show InChI InChI=1S/C53H74N16O12/c1-68(44(74)28-32-15-19-34(71)20-16-32)41(27-31-13-17-33(70)18-14-31)50(80)67-38(26-30-8-3-2-4-9-30)47(77)64-36(21-22-42(54)72)46(76)66-39(29-43(55)73)48(78)65-37(11-6-24-62-53(59)60)51(81)69-25-7-12-40(69)49(79)63-35(45(56)75)10-5-23-61-52(57)58/h2-4,8-9,13-20,35-41,70-71H,5-7,10-12,21-29H2,1H3,(H2,54,72)(H2,55,73)(H2,56,75)(H,63,79)(H,64,77)(H,65,78)(H,66,76)(H,67,80)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1 | PDB
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| 137 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Compound was tested for its ability to of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of human Vasopressin V2 receptor |
J Med Chem 42: 1312-9 (1999)
Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50075722
(4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(5C-...)Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)CCc1ccc(O)cc1 Show InChI InChI=1S/C75H86N14O18/c1-87(64(96)31-18-41-14-20-45(90)21-15-41)59(36-43-16-22-46(91)23-17-43)69(101)86-55(35-42-9-3-2-4-10-42)67(99)83-53(29-30-62(77)94)66(98)85-56(40-63(78)95)68(100)84-54(11-7-33-82-74(80)81)71(103)88-34-8-13-58(88)72(104)89(57(65(79)97)12-5-6-32-76)70(102)44-19-26-50-49(37-44)73(105)107-75(50)51-27-24-47(92)38-60(51)106-61-39-48(93)25-28-52(61)75/h2-4,9-10,14-17,19-28,37-39,53-59,90-93H,5-8,11-13,18,29-36,40,76H2,1H3,(H2,77,94)(H2,78,95)(H2,79,97)(H,83,99)(H,84,100)(H,85,98)(H,86,101)(H4,80,81,82)/t53-,54-,55-,56-,57-,58-,59+/m0/s1 | UniProtKB/SwissProt
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| 142 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of... |
J Med Chem 42: 1312-9 (1999)
Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50075721
((LVA)2-{2-[3-(4-Hydroxy-phenyl)-2-(methyl-phenylac...)Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)Cc1ccccc1 Show InChI InChI=1S/C53H74N16O11/c1-68(44(73)29-32-13-6-3-7-14-32)41(28-33-18-20-34(70)21-19-33)50(79)67-38(27-31-11-4-2-5-12-31)47(76)64-36(22-23-42(54)71)46(75)66-39(30-43(55)72)48(77)65-37(16-9-25-62-53(59)60)51(80)69-26-10-17-40(69)49(78)63-35(45(56)74)15-8-24-61-52(57)58/h2-7,11-14,18-21,35-41,70H,8-10,15-17,22-30H2,1H3,(H2,54,71)(H2,55,72)(H2,56,74)(H,63,78)(H,64,76)(H,65,77)(H,66,75)(H,67,79)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41+/m0/s1 | PDB
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| 282 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of... |
J Med Chem 42: 1312-9 (1999)
Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50075726
(CHEMBL409756 | tetraethylrhodamyl-DTyr(Me)-Phe-Gln...)Show SMILES CCN(CC)C1=CC2Oc3cc(ccc3[C+](C2C=C1)c1ccccc1C(=O)N(C)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)N(CC)CC |c:19,t:5| Show InChI InChI=1S/C82H107N19O14/c1-6-99(7-2)51-29-35-57-67(45-51)115-68-46-52(100(8-3)9-4)30-36-58(68)71(57)55-20-13-14-21-56(55)79(113)98(5)66(44-50-27-33-54(103)34-28-50)78(112)97-63(43-48-18-11-10-12-19-48)75(109)92-60(37-38-69(83)104)74(108)96-64(47-70(84)105)76(110)94-61(23-16-40-91-82(88)89)80(114)101-41-17-24-65(101)77(111)93-59(22-15-39-90-81(86)87)73(107)95-62(72(85)106)42-49-25-31-53(102)32-26-49/h10-14,18-21,25-36,45-46,57,59-67H,6-9,15-17,22-24,37-44,47H2,1-5H3,(H21-,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,102,103,104,105,106,107,108,109,110,111,112)/p+1/t57?,59-,60-,61-,62-,63-,64-,65-,66+,67?/m0/s1 | PDB
UniProtKB/SwissProt
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| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [125I]- HO-LVA from human Vasopressin V1a receptor in membranes of CHO cells |
J Med Chem 42: 1312-9 (1999)
Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50075724
(4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(5C-...)Show SMILES CN(C)c1ccc2c(Oc3cc(ccc3C22OC(=O)c3cc(ccc23)C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)CCc2ccc(O)cc2)N(C)C)c1 Show InChI InChI=1S/C79H96N16O16/c1-91(2)49-24-31-55-64(42-49)110-65-43-50(92(3)4)25-32-56(65)79(55)54-30-23-48(41-53(54)77(109)111-79)74(106)95(61(69(83)101)16-9-10-36-80)76(108)62-17-12-38-94(62)75(107)58(15-11-37-86-78(84)85)88-72(104)60(44-67(82)99)89-70(102)57(33-34-66(81)98)87-71(103)59(39-46-13-7-6-8-14-46)90-73(105)63(40-47-20-28-52(97)29-21-47)93(5)68(100)35-22-45-18-26-51(96)27-19-45/h6-8,13-14,18-21,23-32,41-43,57-63,96-97H,9-12,15-17,22,33-40,44,80H2,1-5H3,(H2,81,98)(H2,82,99)(H2,83,101)(H,87,103)(H,88,104)(H,89,102)(H,90,105)(H4,84,85,86)/t57-,58-,59-,60-,61-,62-,63+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of... |
J Med Chem 42: 1312-9 (1999)
Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50075722
(4HOPh(CH2)2CO-DTyr(Me)-Phe-Gln-Asn-Arg-Pro-Lys(5C-...)Show SMILES CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)CCc1ccc(O)cc1 Show InChI InChI=1S/C75H86N14O18/c1-87(64(96)31-18-41-14-20-45(90)21-15-41)59(36-43-16-22-46(91)23-17-43)69(101)86-55(35-42-9-3-2-4-10-42)67(99)83-53(29-30-62(77)94)66(98)85-56(40-63(78)95)68(100)84-54(11-7-33-82-74(80)81)71(103)88-34-8-13-58(88)72(104)89(57(65(79)97)12-5-6-32-76)70(102)44-19-26-50-49(37-44)73(105)107-75(50)51-27-24-47(92)38-60(51)106-61-39-48(93)25-28-52(61)75/h2-4,9-10,14-17,19-28,37-39,53-59,90-93H,5-8,11-13,18,29-36,40,76H2,1H3,(H2,77,94)(H2,78,95)(H2,79,97)(H,83,99)(H,84,100)(H,85,98)(H,86,101)(H4,80,81,82)/t53-,54-,55-,56-,57-,58-,59+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
The inhibition constant (Ki(nM)) of the compound was determined by displacement of [125I]- HO-LVA radiolabeled ligand using membranes of CHO cells of... |
J Med Chem 42: 1312-9 (1999)
Article DOI: 10.1021/jm9804782
BindingDB Entry DOI: 10.7270/Q2057F3Q |
More data for this
Ligand-Target Pair | |
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