Found 162 hits with Last Name = 'gibson' and Initial = 'l' 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)) | BDBM50418366
(CHEMBL1774023)Show SMILES Clc1ccc(C[C@@H](NC(=O)Cc2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1 |r| Show InChI InChI=1S/C24H27Cl2N3O2/c25-17-5-1-15(2-6-17)11-22(29-23(30)12-16-3-7-18(26)8-4-16)24(31)28-21-13-19-9-10-20(14-21)27-19/h1-8,19-22,27H,9-14H2,(H,28,31)(H,29,30)/t19-,20+,21+,22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.234 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418365
(CHEMBL1774024)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2(CC2)c2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1 |r| Show InChI InChI=1S/C26H29Cl2N3O2/c27-18-5-1-16(2-6-18)13-23(24(32)30-22-14-20-9-10-21(15-22)29-20)31-25(33)26(11-12-26)17-3-7-19(28)8-4-17/h1-8,20-23,29H,9-15H2,(H,30,32)(H,31,33)/t20-,21+,22+,23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.562 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50333952
(CHEMBL1644470 | exo-(1R,5S)-3-(6-phenylpyridin-2-y...)Show SMILES C1C[C@@H]2C[C@H](C[C@H]1N2)Oc1cccc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C18H20N2O/c1-2-5-13(6-3-1)17-7-4-8-18(20-17)21-16-11-14-9-10-15(12-16)19-14/h1-8,14-16,19H,9-12H2/t14-,15+,16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by dofetilide binding assay |
Bioorg Med Chem Lett 21: 271-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418372
(CHEMBL1774022)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1 |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C27H31Cl2N3O2/c1-32-22-10-11-23(32)16-21(15-22)30-25(33)24(14-17-2-6-19(28)7-3-17)31-26(34)27(12-13-27)18-4-8-20(29)9-5-18/h2-9,21-24H,10-16H2,1H3,(H,30,33)(H,31,34)/t21-,22+,23-,24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418373
(CHEMBL1774017)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C25H29Cl2N3O2/c1-30-21-10-11-22(30)15-20(14-21)28-25(32)23(12-16-2-6-18(26)7-3-16)29-24(31)13-17-4-8-19(27)9-5-17/h2-9,20-23H,10-15H2,1H3,(H,28,32)(H,29,31)/t20-,21+,22-,23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.09 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418397
(CHEMBL1773857)Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N(CCCN1CCN(C)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C34H45ClN4O4S/c1-25-22-32(43-5)26(2)27(3)33(25)44(41,42)36-31(23-28-12-14-30(35)15-13-28)34(40)39(24-29-10-7-6-8-11-29)17-9-16-38-20-18-37(4)19-21-38/h6-8,10-15,22,31,36H,9,16-21,23-24H2,1-5H3/t31-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418367
(CHEMBL1774021)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C(C)(C)c1ccc(Cl)cc1 |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C27H33Cl2N3O2/c1-27(2,18-6-10-20(29)11-7-18)26(34)31-24(14-17-4-8-19(28)9-5-17)25(33)30-21-15-22-12-13-23(16-21)32(22)3/h4-11,21-24H,12-16H2,1-3H3,(H,30,33)(H,31,34)/t21-,22+,23-,24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(RAT) | BDBM50418365
(CHEMBL1774024)Show SMILES Clc1ccc(C[C@@H](NC(=O)C2(CC2)c2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1 |r| Show InChI InChI=1S/C26H29Cl2N3O2/c27-18-5-1-16(2-6-18)13-23(24(32)30-22-14-20-9-10-21(15-22)29-20)31-25(33)26(11-12-26)17-3-7-19(28)8-4-17/h1-8,20-23,29H,9-15H2,(H,30,32)(H,31,33)/t20-,21+,22+,23-/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418377
(CHEMBL1774012)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)c(Cl)c1 |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C25H28Cl3N3O2/c1-31-19-7-8-20(31)14-18(13-19)29-25(33)23(11-15-2-5-17(26)6-3-15)30-24(32)12-16-4-9-21(27)22(28)10-16/h2-6,9-10,18-20,23H,7-8,11-14H2,1H3,(H,29,33)(H,30,32)/t18-,19+,20-,23? | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418384
(CHEMBL1774000)Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C26H29ClN2O4S/c1-17-14-24(33-4)18(2)19(3)25(17)34(31,32)29-23(15-20-10-12-22(27)13-11-20)26(30)28-16-21-8-6-5-7-9-21/h5-14,23,29H,15-16H2,1-4H3,(H,28,30)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418369
(CHEMBL1774019)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(C)cc1 |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C26H32ClN3O2/c1-17-3-5-19(6-4-17)14-25(31)29-24(13-18-7-9-20(27)10-8-18)26(32)28-21-15-22-11-12-23(16-21)30(22)2/h3-10,21-24H,11-16H2,1-2H3,(H,28,32)(H,29,31)/t21-,22+,23-,24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.08 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418399
(CHEMBL1774001)Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C26H37ClN4O4S/c1-18-16-24(35-5)19(2)20(3)25(18)36(33,34)29-23(17-21-6-8-22(27)9-7-21)26(32)28-10-11-31-14-12-30(4)13-15-31/h6-9,16,23,29H,10-15,17H2,1-5H3,(H,28,32)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418386
(CHEMBL1773998)Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N(CCCN1CCN(C)CC1)C(C)C |r| Show InChI InChI=1S/C30H45ClN4O4S/c1-21(2)35(14-8-13-34-17-15-33(6)16-18-34)30(36)27(20-25-9-11-26(31)12-10-25)32-40(37,38)29-22(3)19-28(39-7)23(4)24(29)5/h9-12,19,21,27,32H,8,13-18,20H2,1-7H3/t27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418395
(CHEMBL1773859)Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCN1CCN(C)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C34H46N4O4S/c1-26-23-32(42-5)27(2)28(3)33(26)43(40,41)35-31(24-29-13-8-6-9-14-29)34(39)38(25-30-15-10-7-11-16-30)18-12-17-37-21-19-36(4)20-22-37/h6-11,13-16,23,31,35H,12,17-22,24-25H2,1-5H3/t31-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418368
(CHEMBL1774020)Show SMILES COc1ccc(CC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C)cc1 |r,TLB:30:29:26.25:22.28.23| Show InChI InChI=1S/C26H32ClN3O3/c1-30-21-9-10-22(30)16-20(15-21)28-26(32)24(13-17-3-7-19(27)8-4-17)29-25(31)14-18-5-11-23(33-2)12-6-18/h3-8,11-12,20-22,24H,9-10,13-16H2,1-2H3,(H,28,32)(H,29,31)/t20-,21+,22-,24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(RAT) | BDBM50418366
(CHEMBL1774023)Show SMILES Clc1ccc(C[C@@H](NC(=O)Cc2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1 |r| Show InChI InChI=1S/C24H27Cl2N3O2/c25-17-5-1-15(2-6-17)11-22(29-23(30)12-16-3-7-18(26)8-4-16)24(31)28-21-13-19-9-10-20(14-21)27-19/h1-8,19-22,27H,9-14H2,(H,28,31)(H,29,30)/t19-,20+,21+,22-/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 21.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418373
(CHEMBL1774017)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C25H29Cl2N3O2/c1-30-21-10-11-22(30)15-20(14-21)28-25(32)23(12-16-2-6-18(26)7-3-16)29-24(31)13-17-4-8-19(27)9-5-17/h2-9,20-23H,10-15H2,1H3,(H,28,32)(H,29,31)/t20-,21+,22-,23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418387
(CHEMBL1773997)Show SMILES CCCN(CCCN1CCN(C)CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1c(C)cc(OC)c(C)c1C |r| Show InChI InChI=1S/C30H45ClN4O4S/c1-7-13-35(15-8-14-34-18-16-33(5)17-19-34)30(36)27(21-25-9-11-26(31)12-10-25)32-40(37,38)29-22(2)20-28(39-6)23(3)24(29)4/h9-12,20,27,32H,7-8,13-19,21H2,1-6H3/t27-/m0/s1 | PDB
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| 24.0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418370
(CHEMBL1774018)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(F)cc1 |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C25H29ClFN3O2/c1-30-21-10-11-22(30)15-20(14-21)28-25(32)23(12-16-2-6-18(26)7-3-16)29-24(31)13-17-4-8-19(27)9-5-17/h2-9,20-23H,10-15H2,1H3,(H,28,32)(H,29,31)/t20-,21+,22-,23-/m1/s1 | PDB
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| 26.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418402
(CHEMBL1773080)Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@H](C(=O)N(CCCN1CCN(C)CC1)Cc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C33H44N4O4S/c1-25-23-30(41-5)26(2)27(3)32(25)42(39,40)34-31(29-15-10-7-11-16-29)33(38)37(24-28-13-8-6-9-14-28)18-12-17-36-21-19-35(4)20-22-36/h6-11,13-16,23,31,34H,12,17-22,24H2,1-5H3/t31-/m0/s1 | PDB
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| 30.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418398
(CHEMBL1774011)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)Cc1cccc(Cl)c1Cl |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C25H28Cl3N3O2/c1-31-19-9-10-20(31)14-18(13-19)29-25(33)22(11-15-5-7-17(26)8-6-15)30-23(32)12-16-3-2-4-21(27)24(16)28/h2-8,18-20,22H,9-14H2,1H3,(H,29,33)(H,30,32)/t18-,19+,20-,22? | PDB
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| 33.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Pteridine reductase 1
(Leishmania major) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | PDB
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Article
PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of Leishmania major recombinant PTR1 |
J Med Chem 53: 221-9 (2010)
Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418376
(CHEMBL1774013)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1Cl |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C25H28Cl3N3O2/c1-31-20-8-9-21(31)14-19(13-20)29-25(33)23(10-15-2-5-17(26)6-3-15)30-24(32)11-16-4-7-18(27)12-22(16)28/h2-7,12,19-21,23H,8-11,13-14H2,1H3,(H,29,33)(H,30,32)/t19-,20+,21-,23? | PDB
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| 39.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418375
(CHEMBL1774014)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccccc1 |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C25H30ClN3O2/c1-29-21-11-12-22(29)16-20(15-21)27-25(31)23(13-18-7-9-19(26)10-8-18)28-24(30)14-17-5-3-2-4-6-17/h2-10,20-23H,11-16H2,1H3,(H,27,31)(H,28,30)/t20-,21+,22-,23-/m1/s1 | PDB
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| 47.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418380
(CHEMBL1774005)Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C |r,TLB:35:34:31.30:27.33.28| Show InChI InChI=1S/C27H36ClN3O4S/c1-16-12-25(35-5)17(2)18(3)26(16)36(33,34)30-24(13-19-6-8-20(28)9-7-19)27(32)29-21-14-22-10-11-23(15-21)31(22)4/h6-9,12,21-24,30H,10-11,13-15H2,1-5H3,(H,29,32)/t21-,22+,23-,24-/m0/s1 | PDB
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| 49.0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418396
(CHEMBL1773858)Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N(CCCN1CCN(C)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C34H45ClN4O4S/c1-25-22-32(43-5)26(2)27(3)33(25)44(41,42)36-31(23-28-12-14-30(35)15-13-28)34(40)39(24-29-10-7-6-8-11-29)17-9-16-38-20-18-37(4)19-21-38/h6-8,10-15,22,31,36H,9,16-21,23-24H2,1-5H3/t31-/m1/s1 | PDB
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| 51.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(RAT) | BDBM50418372
(CHEMBL1774022)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1 |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C27H31Cl2N3O2/c1-32-22-10-11-23(32)16-21(15-22)30-25(33)24(14-17-2-6-19(28)7-3-17)31-26(34)27(12-13-27)18-4-8-20(29)9-5-18/h2-9,21-24H,10-16H2,1H3,(H,30,33)(H,31,34)/t21-,22+,23-,24-/m1/s1 | UniProtKB/SwissProt
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| 55.0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418400
(CHEMBL1773996)Show SMILES CCN(CCCN1CCN(C)CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1c(C)cc(OC)c(C)c1C |r| Show InChI InChI=1S/C29H43ClN4O4S/c1-7-34(14-8-13-33-17-15-32(5)16-18-33)29(35)26(20-24-9-11-25(30)12-10-24)31-39(36,37)28-21(2)19-27(38-6)22(3)23(28)4/h9-12,19,26,31H,7-8,13-18,20H2,1-6H3/t26-/m0/s1 | PDB
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| 56.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418378
(CHEMBL1774009)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)Cc1cccc(Cl)c1 |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C25H29Cl2N3O2/c1-30-21-9-10-22(30)15-20(14-21)28-25(32)23(12-16-5-7-18(26)8-6-16)29-24(31)13-17-3-2-4-19(27)11-17/h2-8,11,20-23H,9-10,12-15H2,1H3,(H,28,32)(H,29,31)/t20-,21+,22-,23? | PDB
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| 56.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418374
(CHEMBL1774015)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccccc1 |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C25H30ClN3O2/c1-29-21-11-12-22(29)16-20(15-21)27-25(31)23(13-18-7-9-19(26)10-8-18)28-24(30)14-17-5-3-2-4-6-17/h2-10,20-23H,11-16H2,1H3,(H,27,31)(H,28,30)/t20-,21+,22-,23-/m0/s1 | PDB
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| 89.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418388
(CHEMBL1773995)Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCCN1CCN(C)CC1 |r| Show InChI InChI=1S/C27H39ClN4O4S/c1-19-17-25(36-5)20(2)21(3)26(19)37(34,35)30-24(18-22-7-9-23(28)10-8-22)27(33)29-11-6-12-32-15-13-31(4)14-16-32/h7-10,17,24,30H,6,11-16,18H2,1-5H3,(H,29,33)/t24-/m0/s1 | PDB
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| 95.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418383
(CHEMBL1774002)Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCN(C)C |r| Show InChI InChI=1S/C23H32ClN3O4S/c1-15-13-21(31-6)16(2)17(3)22(15)32(29,30)26-20(23(28)25-11-12-27(4)5)14-18-7-9-19(24)10-8-18/h7-10,13,20,26H,11-12,14H2,1-6H3,(H,25,28)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
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PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418381
(CHEMBL1774004)Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C25H34ClN3O4S/c1-16-14-23(33-5)17(2)18(3)24(16)34(31,32)28-22(15-19-6-8-20(26)9-7-19)25(30)27-21-10-12-29(4)13-11-21/h6-9,14,21-22,28H,10-13,15H2,1-5H3,(H,27,30)/t22-/m0/s1 | PDB
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PubMed
| 112 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50333972
(CHEMBL1644605 | exo-2-((1R,5S)-8-azabicyclo[3.2.1]...)Show SMILES N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)nc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C19H19N3O/c20-12-13-8-18(14-4-2-1-3-5-14)22-19(9-13)23-17-10-15-6-7-16(11-17)21-15/h1-5,8-9,15-17,21H,6-7,10-11H2/t15-,16+,17- | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 119 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by dofetilide binding assay |
Bioorg Med Chem Lett 21: 271-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418380
(CHEMBL1774005)Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C |r,TLB:35:34:31.30:27.33.28| Show InChI InChI=1S/C27H36ClN3O4S/c1-16-12-25(35-5)17(2)18(3)26(16)36(33,34)30-24(13-19-6-8-20(28)9-7-19)27(32)29-21-14-22-10-11-23(15-21)31(22)4/h6-9,12,21-24,30H,10-11,13-15H2,1-5H3,(H,29,32)/t21-,22+,23-,24-/m0/s1 | PDB
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| 129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418371
(CHEMBL1774016)Show SMILES Clc1ccc(C[C@@H](NC(=O)Cc2ccc(Cl)c(Cl)c2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1 |r| Show InChI InChI=1S/C24H26Cl3N3O2/c25-16-4-1-14(2-5-16)10-22(24(32)29-19-12-17-6-7-18(13-19)28-17)30-23(31)11-15-3-8-20(26)21(27)9-15/h1-5,8-9,17-19,22,28H,6-7,10-13H2,(H,29,32)(H,30,31)/t17-,18+,19+,22-/m1/s1 | PDB
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| 129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(RAT) | BDBM50418367
(CHEMBL1774021)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C(C)(C)c1ccc(Cl)cc1 |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C27H33Cl2N3O2/c1-27(2,18-6-10-20(29)11-7-18)26(34)31-24(14-17-4-8-19(28)9-5-17)25(33)30-21-15-22-12-13-23(16-21)32(22)3/h4-11,21-24H,12-16H2,1-3H3,(H,30,33)(H,31,34)/t21-,22+,23-,24-/m1/s1 | UniProtKB/SwissProt
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| 132 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418394
(CHEMBL1773860)Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N(CCCN1CCN(C)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C34H52N4O4S/c1-26-23-32(42-5)27(2)28(3)33(26)43(40,41)35-31(24-29-13-8-6-9-14-29)34(39)38(25-30-15-10-7-11-16-30)18-12-17-37-21-19-36(4)20-22-37/h7,10-11,15-16,23,29,31,35H,6,8-9,12-14,17-22,24-25H2,1-5H3/t31-/m0/s1 | PDB
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| 148 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418389
(CHEMBL1773994)Show SMILES CN1CCN(CCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccccc2)CC1 |r| Show InChI InChI=1S/C32H39ClN4O2/c1-35-19-21-36(22-20-35)17-8-18-37(25-28-11-6-3-7-12-28)32(39)30(23-27-13-15-29(33)16-14-27)34-31(38)24-26-9-4-2-5-10-26/h2-7,9-16,30H,8,17-25H2,1H3,(H,34,38)/t30-/m0/s1 | PDB
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| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418382
(CHEMBL1774003)Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C)CC1 |r| Show InChI InChI=1S/C24H32ClN3O4S/c1-16-14-22(32-5)17(2)18(3)23(16)33(30,31)26-21(15-19-6-8-20(25)9-7-19)24(29)28-12-10-27(4)11-13-28/h6-9,14,21,26H,10-13,15H2,1-5H3/t21-/m0/s1 | PDB
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| 182 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(RAT) | BDBM50418371
(CHEMBL1774016)Show SMILES Clc1ccc(C[C@@H](NC(=O)Cc2ccc(Cl)c(Cl)c2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1 |r| Show InChI InChI=1S/C24H26Cl3N3O2/c25-16-4-1-14(2-5-16)10-22(24(32)29-19-12-17-6-7-18(13-19)28-17)30-23(31)11-15-3-8-20(26)21(27)9-15/h1-5,8-9,17-19,22,28H,6-7,10-13H2,(H,29,32)(H,30,31)/t17-,18+,19+,22-/m1/s1 | UniProtKB/SwissProt
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| 195 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(RAT) | BDBM50418373
(CHEMBL1774017)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C25H29Cl2N3O2/c1-30-21-10-11-22(30)15-20(14-21)28-25(32)23(12-16-2-6-18(26)7-3-16)29-24(31)13-17-4-8-19(27)9-5-17/h2-9,20-23H,10-15H2,1H3,(H,28,32)(H,29,31)/t20-,21+,22-,23-/m1/s1 | UniProtKB/SwissProt
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| 204 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418391
(CHEMBL1773863)Show SMILES CN1CCN(CCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccc(Cl)cc2)NS(=O)(=O)c2ccccc2)CC1 |r| Show InChI InChI=1S/C30H37ClN4O3S/c1-33-19-21-34(22-20-33)17-8-18-35(24-26-9-4-2-5-10-26)30(36)29(23-25-13-15-27(31)16-14-25)32-39(37,38)28-11-6-3-7-12-28/h2-7,9-16,29,32H,8,17-24H2,1H3/t29-/m0/s1 | PDB
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| 234 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418401
(CHEMBL1773992)Show SMILES CN1CCN(CCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccc(Cl)cc2)NS(=O)(=O)Cc2ccccc2)CC1 |r| Show InChI InChI=1S/C31H39ClN4O3S/c1-34-19-21-35(22-20-34)17-8-18-36(24-27-9-4-2-5-10-27)31(37)30(23-26-13-15-29(32)16-14-26)33-40(38,39)25-28-11-6-3-7-12-28/h2-7,9-16,30,33H,8,17-25H2,1H3/t30-/m0/s1 | PDB
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| 234 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418393
(CHEMBL1773861)Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)NCC(=O)N(CCCN1CCN(C)CC1)Cc1ccccc1 Show InChI InChI=1S/C27H40N4O4S/c1-21-18-25(35-5)22(2)23(3)27(21)36(33,34)28-19-26(32)31(20-24-10-7-6-8-11-24)13-9-12-30-16-14-29(4)15-17-30/h6-8,10-11,18,28H,9,12-17,19-20H2,1-5H3 | PDB
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| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Pteridine reductase 1
(Leishmania major) | BDBM50303504
(2,4-diamino-6,7-diisopropylpteridin-1-ium | 6,7-bi...)Show InChI InChI=1S/C12H18N6/c1-5(2)7-8(6(3)4)16-11-9(15-7)10(13)17-12(14)18-11/h5-6H,1-4H3,(H4,13,14,16,17,18) | PDB
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| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of Leishmania major recombinant PTR1 |
J Med Chem 53: 221-9 (2010)
Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418379
(CHEMBL1774008)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)Cc1ccccc1Cl |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C25H29Cl2N3O2/c1-30-20-10-11-21(30)15-19(14-20)28-25(32)23(12-16-6-8-18(26)9-7-16)29-24(31)13-17-4-2-3-5-22(17)27/h2-9,19-21,23H,10-15H2,1H3,(H,28,32)(H,29,31)/t19-,20+,21-,23? | PDB
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| 288 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50418385
(CHEMBL1773999)Show SMILES CNC(=O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1c(C)cc(OC)c(C)c1C |r| Show InChI InChI=1S/C20H25ClN2O4S/c1-12-10-18(27-5)13(2)14(3)19(12)28(25,26)23-17(20(24)22-4)11-15-6-8-16(21)9-7-15/h6-10,17,23H,11H2,1-5H3,(H,22,24)/t17-/m0/s1 | PDB
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| 339 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(RAT) | BDBM50418369
(CHEMBL1774019)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(C)cc1 |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C26H32ClN3O2/c1-17-3-5-19(6-4-17)14-25(31)29-24(13-18-7-9-20(27)10-8-18)26(32)28-21-15-22-11-12-23(16-21)30(22)2/h3-10,21-24H,11-16H2,1-2H3,(H,28,32)(H,29,31)/t21-,22+,23-,24-/m1/s1 | UniProtKB/SwissProt
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| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
MSD
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells |
Bioorg Med Chem Lett 21: 3163-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.096
BindingDB Entry DOI: 10.7270/Q2K64KB0 |
More data for this
Ligand-Target Pair | |
Pteridine reductase 1
(Leishmania major) | BDBM50303518
(2,4-diamino-6-(benzylthio)pyrimidin-1-ium | 6-(ben...)Show InChI InChI=1S/C11H12N4S/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,12,13,14,15) | PDB
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| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of Leishmania major recombinant PTR1 |
J Med Chem 53: 221-9 (2010)
Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP |
More data for this
Ligand-Target Pair | |
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