Found 17 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
(RAT) | 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
KEGG
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Antagonism of OT-induced response at OT receptor in rat uterine strips |
Bioorg Med Chem Lett 16: 954-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.107
BindingDB Entry DOI: 10.7270/Q27945GR |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50177593
((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C23H19ClN4O/c1-16-10-12-28(25-16)18-8-9-20(21(24)13-18)23(29)27-15-19-6-4-11-26(19)14-17-5-2-3-7-22(17)27/h2-13H,14-15H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V2 receptor transfected in LV2 cells |
Bioorg Med Chem Lett 16: 954-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.107
BindingDB Entry DOI: 10.7270/Q27945GR |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50177599
(CHEMBL202447 | [2-chloro-4-(3-methyl-pyrazol-1-yl)...)Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C23H18ClN5O/c1-15-10-12-29(27-15)17-8-9-18(19(24)13-17)23(30)28-14-16-5-4-11-25-22(16)26-20-6-2-3-7-21(20)28/h2-13H,14H2,1H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 91.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V2 receptor transfected in LV2 cells |
Bioorg Med Chem Lett 16: 954-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.107
BindingDB Entry DOI: 10.7270/Q27945GR |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50177591
(CHEMBL203513 | [2-chloro-4-(1-methyl-1H-pyrazol-3-...)Show SMILES Cn1ccc(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C23H18ClN5O/c1-28-12-10-19(27-28)15-8-9-17(18(24)13-15)23(30)29-14-16-5-4-11-25-22(16)26-20-6-2-3-7-21(20)29/h2-13H,14H2,1H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 183 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V2 receptor transfected in LV2 cells |
Bioorg Med Chem Lett 16: 954-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.107
BindingDB Entry DOI: 10.7270/Q27945GR |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50177597
(CHEMBL203739 | [2-bromo-4-(3-methyl-pyrazol-1-yl)-...)Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(Br)c1 Show InChI InChI=1S/C23H18BrN5O/c1-15-10-12-29(27-15)17-8-9-18(19(24)13-17)23(30)28-14-16-5-4-11-25-22(16)26-20-6-2-3-7-21(20)28/h2-13H,14H2,1H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 296 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V2 receptor transfected in LV2 cells |
Bioorg Med Chem Lett 16: 954-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.107
BindingDB Entry DOI: 10.7270/Q27945GR |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50177594
(CHEMBL381763 | [2-chloro-4-(5-methyl-pyrazol-1-yl)...)Show SMILES Cc1ccnn1-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C23H18ClN5O/c1-15-10-12-26-29(15)17-8-9-18(19(24)13-17)23(30)28-14-16-5-4-11-25-22(16)27-20-6-2-3-7-21(20)28/h2-13H,14H2,1H3,(H,25,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V2 receptor transfected in LV2 cells |
Bioorg Med Chem Lett 16: 954-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.107
BindingDB Entry DOI: 10.7270/Q27945GR |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50177598
((5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6...)Show SMILES Cc1ccnn1-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(c1)C(F)(F)F Show InChI InChI=1S/C24H18F3N5O/c1-15-10-12-29-32(15)17-8-9-18(19(13-17)24(25,26)27)23(33)31-14-16-5-4-11-28-22(16)30-20-6-2-3-7-21(20)31/h2-13H,14H2,1H3,(H,28,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 413 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V2 receptor transfected in LV2 cells |
Bioorg Med Chem Lett 16: 954-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.107
BindingDB Entry DOI: 10.7270/Q27945GR |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50177600
(CHEMBL205013 | [2-chloro-4-(3-methyl-pyrazol-1-yl)...)Show SMILES CN1c2ccccc2N(Cc2cccnc12)C(=O)c1ccc(cc1Cl)-n1ccc(C)n1 Show InChI InChI=1S/C24H20ClN5O/c1-16-11-13-30(27-16)18-9-10-19(20(25)14-18)24(31)29-15-17-6-5-12-26-23(17)28(2)21-7-3-4-8-22(21)29/h3-14H,15H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 475 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V2 receptor transfected in LV2 cells |
Bioorg Med Chem Lett 16: 954-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.107
BindingDB Entry DOI: 10.7270/Q27945GR |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50177592
((5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6...)Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(c1)C(F)(F)F Show InChI InChI=1S/C24H18F3N5O/c1-15-10-12-32(30-15)17-8-9-18(19(13-17)24(25,26)27)23(33)31-14-16-5-4-11-28-22(16)29-20-6-2-3-7-21(20)31/h2-13H,14H2,1H3,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 493 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V2 receptor transfected in LV2 cells |
Bioorg Med Chem Lett 16: 954-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.107
BindingDB Entry DOI: 10.7270/Q27945GR |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50177593
((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C23H19ClN4O/c1-16-10-12-28(25-16)18-8-9-20(21(24)13-18)23(29)27-15-19-6-4-11-26(19)14-17-5-2-3-7-22(17)27/h2-13H,14-15H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 778 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 954-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.107
BindingDB Entry DOI: 10.7270/Q27945GR |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50177601
((5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6...)Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(F)c1 Show InChI InChI=1S/C23H18FN5O/c1-15-10-12-29(27-15)17-8-9-18(19(24)13-17)23(30)28-14-16-5-4-11-25-22(16)26-20-6-2-3-7-21(20)28/h2-13H,14H2,1H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 933 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V2 receptor transfected in LV2 cells |
Bioorg Med Chem Lett 16: 954-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.107
BindingDB Entry DOI: 10.7270/Q27945GR |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(RAT) | BDBM50177592
((5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6...)Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(c1)C(F)(F)F Show InChI InChI=1S/C24H18F3N5O/c1-15-10-12-32(30-15)17-8-9-18(19(13-17)24(25,26)27)23(33)31-14-16-5-4-11-28-22(16)29-20-6-2-3-7-21(20)31/h2-13H,14H2,1H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Antagonism of OT-induced response at OT receptor in rat uterine strips |
Bioorg Med Chem Lett 16: 954-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.107
BindingDB Entry DOI: 10.7270/Q27945GR |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50177591
(CHEMBL203513 | [2-chloro-4-(1-methyl-1H-pyrazol-3-...)Show SMILES Cn1ccc(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C23H18ClN5O/c1-28-12-10-19(27-28)15-8-9-17(18(24)13-15)23(30)29-14-16-5-4-11-25-22(16)26-20-6-2-3-7-21(20)29/h2-13H,14H2,1H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 954-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.107
BindingDB Entry DOI: 10.7270/Q27945GR |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50177592
((5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6...)Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(c1)C(F)(F)F Show InChI InChI=1S/C24H18F3N5O/c1-15-10-12-32(30-15)17-8-9-18(19(13-17)24(25,26)27)23(33)31-14-16-5-4-11-28-22(16)29-20-6-2-3-7-21(20)31/h2-13H,14H2,1H3,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1a receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 954-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.107
BindingDB Entry DOI: 10.7270/Q27945GR |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(RAT) | BDBM50177592
((5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6...)Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(c1)C(F)(F)F Show InChI InChI=1S/C24H18F3N5O/c1-15-10-12-32(30-15)17-8-9-18(19(13-17)24(25,26)27)23(33)31-14-16-5-4-11-28-22(16)29-20-6-2-3-7-21(20)31/h2-13H,14H2,1H3,(H,28,29) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Antagonism of AVP-induced response at V1a receptor in isolated rat tail arteries |
Bioorg Med Chem Lett 16: 954-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.107
BindingDB Entry DOI: 10.7270/Q27945GR |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50177593
((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C23H19ClN4O/c1-16-10-12-28(25-16)18-8-9-20(21(24)13-18)23(29)27-15-19-6-4-11-26(19)14-17-5-2-3-7-22(17)27/h2-13H,14-15H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.740 | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding to human V2 receptor expressed in LV2 cells by cAMP production |
Bioorg Med Chem Lett 16: 954-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.107
BindingDB Entry DOI: 10.7270/Q27945GR |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50177592
((5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6...)Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(c1)C(F)(F)F Show InChI InChI=1S/C24H18F3N5O/c1-15-10-12-32(30-15)17-8-9-18(19(13-17)24(25,26)27)23(33)31-14-16-5-4-11-28-22(16)29-20-6-2-3-7-21(20)31/h2-13H,14H2,1H3,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.67 | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding to human V2 receptor expressed in LV2 cells by cAMP production |
Bioorg Med Chem Lett 16: 954-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.107
BindingDB Entry DOI: 10.7270/Q27945GR |
More data for this
Ligand-Target Pair | |
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