Found 1045 hits with Last Name = 'mort' and Initial = 'c' 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 | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50361051
(CHEMBL1935590)Show InChI InChI=1S/C17H14FNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,19H,6-7,10H2 | 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 |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from full length human 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050 BindingDB Entry DOI: 10.7270/Q24Q7VFX |
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 | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50361055
(CHEMBL1935599)Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCOCC4)c3oc2c1 Show InChI InChI=1S/C21H20FNO4S/c22-14-2-1-3-15(12-14)28(24,25)16-4-5-17-18-6-9-23-21(7-10-26-11-8-21)20(18)27-19(17)13-16/h1-5,12-13,23H,6-11H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from full length human 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050 BindingDB Entry DOI: 10.7270/Q24Q7VFX |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50361052
(CHEMBL1935589 | CHEMBL1949758)Show InChI InChI=1S/C17H15NO3S/c19-22(20,12-4-2-1-3-5-12)13-6-7-14-15-8-9-18-11-17(15)21-16(14)10-13/h1-7,10,18H,8-9,11H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from full length human 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050 BindingDB Entry DOI: 10.7270/Q24Q7VFX |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50361052
(CHEMBL1935589 | CHEMBL1949758)Show InChI InChI=1S/C17H15NO3S/c19-22(20,12-4-2-1-3-5-12)13-6-7-14-15-8-9-18-11-17(15)21-16(14)10-13/h1-7,10,18H,8-9,11H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50361058
(CHEMBL1935594)Show SMILES CC1(C)NCCc2c1oc1cc(ccc21)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C19H18FNO3S/c1-19(2)18-16(8-9-21-19)15-7-6-14(11-17(15)24-18)25(22,23)13-5-3-4-12(20)10-13/h3-7,10-11,21H,8-9H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from full length human 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050 BindingDB Entry DOI: 10.7270/Q24Q7VFX |
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 | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364326
(CHEMBL1949930)Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364326
(CHEMBL1949930)Show SMILES COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C21H25NO5S/c1-13(2)26-15-8-14(25-3)9-17(10-15)28(23,24)16-4-5-18-19-6-7-22-12-21(19)27-20(18)11-16/h4-5,8-11,13,19,21-22H,6-7,12H2,1-3H3/t19-,21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM22741
(1-(3,4-dimethylphenyl)-2-phenylethane-1,2-dione | ...)Show InChI InChI=1S/C16H14O2/c1-11-8-9-14(10-12(11)2)16(18)15(17)13-6-4-3-5-7-13/h3-10H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Patents
| Article PubMed
| 4.10 | -47.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
University of Mississippi
| Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... |
J Med Chem 48: 2906-15 (2005)
Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Oryctolagus cuniculus (rabbit)) | BDBM22733
(1,2-bis(4-bromophenyl)ethane-1,2-dione | Benzil-ba...)Show InChI InChI=1S/C14H8Br2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Patents
| Article PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
| Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... |
J Med Chem 48: 2906-15 (2005)
Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR |
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 | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50361053
(CHEMBL1935601)Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1 Show InChI InChI=1S/C21H20FNO4S/c22-14-3-1-4-15(11-14)28(24,25)16-5-6-17-18-7-9-23-21(8-2-10-26-13-21)20(18)27-19(17)12-16/h1,3-6,11-12,23H,2,7-10,13H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from full length human 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050 BindingDB Entry DOI: 10.7270/Q24Q7VFX |
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 | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364323
(CHEMBL1949928)Show SMILES Clc1cccc(c1Cl)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C17H15Cl2NO3S/c18-13-2-1-3-16(17(13)19)24(21,22)10-4-5-11-12-6-7-20-9-15(12)23-14(11)8-10/h1-5,8,12,15,20H,6-7,9H2/t12-,15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364323
(CHEMBL1949928)Show SMILES Clc1cccc(c1Cl)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C17H15Cl2NO3S/c18-13-2-1-3-16(17(13)19)24(21,22)10-4-5-11-12-6-7-20-9-15(12)23-14(11)8-10/h1-5,8,12,15,20H,6-7,9H2/t12-,15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM22759
(1-[4-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-...)Show SMILES O=C(C(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H14O4/c23-19(15-7-3-1-4-8-15)21(25)17-11-13-18(14-12-17)22(26)20(24)16-9-5-2-6-10-16/h1-14H | PDB
UniProtKB/SwissProt
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| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
| Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... |
J Med Chem 48: 2906-15 (2005)
Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50361050
(CHEMBL1935592)Show InChI InChI=1S/C18H17NO4S/c1-22-12-3-2-4-13(9-12)24(20,21)14-5-6-15-16-7-8-19-11-18(16)23-17(15)10-14/h2-6,9-10,19H,7-8,11H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from full length human 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050 BindingDB Entry DOI: 10.7270/Q24Q7VFX |
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
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| 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 | |
Liver carboxylesterase 1
(Oryctolagus cuniculus (rabbit)) | BDBM22759
(1-[4-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-...)Show SMILES O=C(C(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H14O4/c23-19(15-7-3-1-4-8-15)21(25)17-11-13-18(14-12-17)22(26)20(24)16-9-5-2-6-10-16/h1-14H | PDB MMDB
KEGG
UniProtKB/SwissProt
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| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
| Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... |
J Med Chem 48: 2906-15 (2005)
Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| 6.90 | -46.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
University of North Carolina at Chapel Hill
| Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob... |
Chem Biol 10: 341-9 (2003)
Article DOI: 10.1016/s1074-5521(03)00071-1 BindingDB Entry DOI: 10.7270/Q2N014T9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
5-hydroxytryptamine receptor 6
(RAT) | BDBM50361051
(CHEMBL1935590)Show InChI InChI=1S/C17H14FNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,19H,6-7,10H2 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from full length rat 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050 BindingDB Entry DOI: 10.7270/Q24Q7VFX |
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
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| 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 | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50361049
(CHEMBL1935593)Show InChI InChI=1S/C19H19NO3S/c1-19(2)18-16(10-11-20-19)15-9-8-14(12-17(15)23-18)24(21,22)13-6-4-3-5-7-13/h3-9,12,20H,10-11H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from full length human 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050 BindingDB Entry DOI: 10.7270/Q24Q7VFX |
More data for this Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM22748
(1-(4-methyl-3-nitrophenyl)-2-phenylethane-1,2-dion...)Show InChI InChI=1S/C15H11NO4/c1-10-7-8-12(9-13(10)16(19)20)15(18)14(17)11-5-3-2-4-6-11/h2-9H,1H3 | PDB
UniProtKB/SwissProt
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| Article PubMed
| 7.90 | -46.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
University of Mississippi
| Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... |
J Med Chem 48: 2906-15 (2005)
Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Homo sapiens (Human)) | BDBM22759
(1-[4-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-...)Show SMILES O=C(C(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H14O4/c23-19(15-7-3-1-4-8-15)21(25)17-11-13-18(14-12-17)22(26)20(24)16-9-5-2-6-10-16/h1-14H | PDB
KEGG
UniProtKB/SwissProt
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| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
| Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... |
J Med Chem 48: 2906-15 (2005)
Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Oryctolagus cuniculus (rabbit)) | BDBM22747
(1,2-bis(4-bromo-3-nitrophenyl)ethane-1,2-dione | B...)Show SMILES [O-][N+](=O)c1cc(ccc1Br)C(=O)C(=O)c1ccc(Br)c(c1)[N+]([O-])=O Show InChI InChI=1S/C14H6Br2N2O6/c15-9-3-1-7(5-11(9)17(21)22)13(19)14(20)8-2-4-10(16)12(6-8)18(23)24/h1-6H | PDB MMDB
KEGG
UniProtKB/SwissProt
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| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
| Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... |
J Med Chem 48: 2906-15 (2005)
Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR |
More data for this Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM22745
(1-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethane-1...)Show InChI InChI=1S/C16H13ClO4/c1-20-13-8-7-10(9-14(13)21-2)15(18)16(19)11-5-3-4-6-12(11)17/h3-9H,1-2H3 | PDB
UniProtKB/SwissProt
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| 8.90 | -46.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
University of Mississippi
| Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... |
J Med Chem 48: 2906-15 (2005)
Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Oryctolagus cuniculus (rabbit)) | BDBM22731
(1,2-bis(4-chlorophenyl)ethane-1,2-dione | Benzil-b...)Show InChI InChI=1S/C14H8Cl2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H | PDB MMDB
KEGG
UniProtKB/SwissProt
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| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
| Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... |
J Med Chem 48: 2906-15 (2005)
Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(RAT) | BDBM50361052
(CHEMBL1935589 | CHEMBL1949758)Show InChI InChI=1S/C17H15NO3S/c19-22(20,12-4-2-1-3-5-12)13-6-7-14-15-8-9-18-11-17(15)21-16(14)10-13/h1-7,10,18H,8-9,11H2 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from full length rat 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050 BindingDB Entry DOI: 10.7270/Q24Q7VFX |
More data for this Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM22742
(1-(4-methoxyphenyl)-2-phenylethane-1,2-dione | Ben...)Show InChI InChI=1S/C15H12O3/c1-18-13-9-7-12(8-10-13)15(17)14(16)11-5-3-2-4-6-11/h2-10H,1H3 | PDB
UniProtKB/SwissProt
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| 10.3 | -45.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
University of Mississippi
| Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... |
J Med Chem 48: 2906-15 (2005)
Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364312
(CHEMBL1949764)Show SMILES Clc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C17H16ClNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,15,17,19H,6-7,10H2/t15-,17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364311
(CHEMBL1949763)Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C17H16FNO3S/c18-11-2-1-3-12(8-11)23(20,21)13-4-5-14-15-6-7-19-10-17(15)22-16(14)9-13/h1-5,8-9,15,17,19H,6-7,10H2/t15-,17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Oryctolagus cuniculus (rabbit)) | BDBM22748
(1-(4-methyl-3-nitrophenyl)-2-phenylethane-1,2-dion...)Show InChI InChI=1S/C15H11NO4/c1-10-7-8-12(9-13(10)16(19)20)15(18)14(17)11-5-3-2-4-6-11/h2-9H,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 11.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
| Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... |
J Med Chem 48: 2906-15 (2005)
Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR |
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
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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 | |
5-hydroxytryptamine receptor 6
(RAT) | BDBM50361055
(CHEMBL1935599)Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCOCC4)c3oc2c1 Show InChI InChI=1S/C21H20FNO4S/c22-14-2-1-3-15(12-14)28(24,25)16-4-5-17-18-6-9-23-21(7-10-26-11-8-21)20(18)27-19(17)13-16/h1-5,12-13,23H,6-11H2 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from full length rat 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050 BindingDB Entry DOI: 10.7270/Q24Q7VFX |
More data for this Ligand-Target Pair | |
Coagulation factor XII
(Homo sapiens (Human)) | BDBM22722
(1,2-diphenylethane-1,2-dione | Benzil | CHEMBL1898...)Show InChI InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H | PDB
UniProtKB/SwissProt
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| Article PubMed
| 14.7 | -44.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
University of Mississippi
| Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... |
J Med Chem 48: 2906-15 (2005)
Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Oryctolagus cuniculus (rabbit)) | BDBM22746
(1-[4-(bromomethyl)phenyl]-2-phenylethane-1,2-dione...)Show InChI InChI=1S/C15H11BrO2/c16-10-11-6-8-13(9-7-11)15(18)14(17)12-4-2-1-3-5-12/h1-9H,10H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
| Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... |
J Med Chem 48: 2906-15 (2005)
Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364310
(CHEMBL1949762)Show SMILES O=S(=O)(c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1)c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C23H21NO3S/c25-28(26,23-9-5-4-8-18(23)16-6-2-1-3-7-16)17-10-11-19-20-12-13-24-15-22(20)27-21(19)14-17/h1-11,14,20,22,24H,12-13,15H2/t20-,22-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
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 | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50361057
(CHEMBL1935597)Show SMILES CC1(NCCc2c1oc1cc(ccc21)S(=O)(=O)c1cccc(F)c1)C(F)F Show InChI InChI=1S/C19H16F3NO3S/c1-19(18(21)22)17-15(7-8-23-19)14-6-5-13(10-16(14)26-17)27(24,25)12-4-2-3-11(20)9-12/h2-6,9-10,18,23H,7-8H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from full length human 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050 BindingDB Entry DOI: 10.7270/Q24Q7VFX |
More data for this Ligand-Target Pair | |
Liver carboxylesterase 1
(Oryctolagus cuniculus (rabbit)) | BDBM22738
(1-(4-chlorophenyl)-2-(4-methylphenyl)ethane-1,2-di...)Show InChI InChI=1S/C15H11ClO2/c1-10-2-4-11(5-3-10)14(17)15(18)12-6-8-13(16)9-7-12/h2-9H,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 16.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
| Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... |
J Med Chem 48: 2906-15 (2005)
Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR |
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 | |
5-hydroxytryptamine receptor 6
(RAT) | BDBM50361053
(CHEMBL1935601)Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1 Show InChI InChI=1S/C21H20FNO4S/c22-14-3-1-4-15(11-14)28(24,25)16-5-6-17-18-7-9-23-21(8-2-10-26-13-21)20(18)27-19(17)12-16/h1,3-6,11-12,23H,2,7-10,13H2 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 16.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from full length rat 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050 BindingDB Entry DOI: 10.7270/Q24Q7VFX |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(RAT) | BDBM50361053
(CHEMBL1935601)Show SMILES Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1 Show InChI InChI=1S/C21H20FNO4S/c22-14-3-1-4-15(11-14)28(24,25)16-5-6-17-18-7-9-23-21(8-2-10-26-13-21)20(18)27-19(17)12-16/h1,3-6,11-12,23H,2,7-10,13H2 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 16.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from full length rat 5HT6 receptor |
Bioorg Med Chem Lett 22: 120-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.050 BindingDB Entry DOI: 10.7270/Q24Q7VFX |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50364316
(CHEMBL1949768)Show SMILES CC(C)Oc1cccc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r| Show InChI InChI=1S/C20H23NO4S/c1-13(2)24-14-4-3-5-15(10-14)26(22,23)16-6-7-17-18-8-9-21-12-20(18)25-19(17)11-16/h3-7,10-11,13,18,20-21H,8-9,12H2,1-2H3/t18-,20-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5HT6 receptor |
Bioorg Med Chem Lett 22: 1421-6 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.026 BindingDB Entry DOI: 10.7270/Q20Z73R1 |
More data for this Ligand-Target Pair | |