Found 838 hits with Last Name = 'suckling' and Initial = 'cj' 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 |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464108
(CHEMBL4241824)Show SMILES Cc1cc(C)n(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C29H37N5O2/c1-20-15-21(2)34(32-20)27-7-3-5-24(16-27)25(17-28(35)36)19-33-14-12-22(18-33)8-10-26-11-9-23-6-4-13-30-29(23)31-26/h3,5,7,9,11,15-16,22,25H,4,6,8,10,12-14,17-19H2,1-2H3,(H,30,31)(H,35,36)/t22-,25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to human integrin alphaVbeta6 assessed as dissociation constant up to 48 hrs by liquid scintillation counting |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464104
(CHEMBL4244784)Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C1CCOC1 |r| Show InChI InChI=1S/C28H37N3O3/c32-27(33)16-25(23-4-1-3-22(15-23)24-11-14-34-19-24)18-31-13-10-20(17-31)6-8-26-9-7-21-5-2-12-29-28(21)30-26/h1,3-4,7,9,15,20,24-25H,2,5-6,8,10-14,16-19H2,(H,29,30)(H,32,33)/t20-,24?,25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464110
(CHEMBL4238909)Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)N1CCOCC1 |r| Show InChI InChI=1S/C28H38N4O3/c33-27(34)18-24(23-3-1-5-26(17-23)32-13-15-35-16-14-32)20-31-12-10-21(19-31)6-8-25-9-7-22-4-2-11-29-28(22)30-25/h1,3,5,7,9,17,21,24H,2,4,6,8,10-16,18-20H2,(H,29,30)(H,33,34)/t21-,24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to human integrin alphaVbeta6 assessed as dissociation constant up to 48 hrs by liquid scintillation counting |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464123
(CHEMBL4242263)Show SMILES Cc1cc(C)n(n1)-c1cc(cc(c1)N1CCOCC1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C33H44N6O3/c1-23-16-24(2)39(36-23)31-18-27(17-30(20-31)38-12-14-42-15-13-38)28(19-32(40)41)22-37-11-9-25(21-37)5-7-29-8-6-26-4-3-10-34-33(26)35-29/h6,8,16-18,20,25,28H,3-5,7,9-15,19,21-22H2,1-2H3,(H,34,35)(H,40,41)/t25-,28-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464118
(CHEMBL4249172)Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(O[C@H]2CCOC2)c1 |r| Show InChI InChI=1S/C28H37N3O4/c32-27(33)16-23(22-3-1-5-25(15-22)35-26-11-14-34-19-26)18-31-13-10-20(17-31)6-8-24-9-7-21-4-2-12-29-28(21)30-24/h1,3,5,7,9,15,20,23,26H,2,4,6,8,10-14,16-19H2,(H,29,30)(H,32,33)/t20-,23-,26+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464108
(CHEMBL4241824)Show SMILES Cc1cc(C)n(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C29H37N5O2/c1-20-15-21(2)34(32-20)27-7-3-5-24(16-27)25(17-28(35)36)19-33-14-12-22(18-33)8-10-26-11-9-23-6-4-13-30-29(23)31-26/h3,5,7,9,11,15-16,22,25H,4,6,8,10,12-14,17-19H2,1-2H3,(H,30,31)(H,35,36)/t22-,25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| 0.0398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464119
(CHEMBL4241584)Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-n1ccnn1 |r| Show InChI InChI=1S/C26H32N6O2/c33-25(34)16-22(21-3-1-5-24(15-21)32-14-12-28-30-32)18-31-13-10-19(17-31)6-8-23-9-7-20-4-2-11-27-26(20)29-23/h1,3,5,7,9,12,14-15,19,22H,2,4,6,8,10-11,13,16-18H2,(H,27,29)(H,33,34)/t19-,22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464124
(CHEMBL4249629)Show SMILES Cc1nc(C)c([nH]1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C29H37N5O2/c1-19-28(32-20(2)31-19)24-6-3-5-23(15-24)25(16-27(35)36)18-34-14-12-21(17-34)8-10-26-11-9-22-7-4-13-30-29(22)33-26/h3,5-6,9,11,15,21,25H,4,7-8,10,12-14,16-18H2,1-2H3,(H,30,33)(H,31,32)(H,35,36)/t21-,25-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464120
(CHEMBL4237919)Show SMILES Cc1nncn1-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C27H34N6O2/c1-19-31-29-18-33(19)25-6-2-4-22(14-25)23(15-26(34)35)17-32-13-11-20(16-32)7-9-24-10-8-21-5-3-12-28-27(21)30-24/h2,4,6,8,10,14,18,20,23H,3,5,7,9,11-13,15-17H2,1H3,(H,28,30)(H,34,35)/t20-,23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464113
(CHEMBL4239085)Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(O[C@@H]2CCOC2)c1 |r| Show InChI InChI=1S/C28H37N3O4/c32-27(33)16-23(22-3-1-5-25(15-22)35-26-11-14-34-19-26)18-31-13-10-20(17-31)6-8-24-9-7-21-4-2-12-29-28(21)30-24/h1,3,5,7,9,15,20,23,26H,2,4,6,8,10-14,16-19H2,(H,29,30)(H,32,33)/t20-,23-,26-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464100
(CHEMBL4243367)Show SMILES Cc1ccnn1-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C28H35N5O2/c1-20-11-14-30-33(20)26-6-2-4-23(16-26)24(17-27(34)35)19-32-15-12-21(18-32)7-9-25-10-8-22-5-3-13-29-28(22)31-25/h2,4,6,8,10-11,14,16,21,24H,3,5,7,9,12-13,15,17-19H2,1H3,(H,29,31)(H,34,35)/t21-,24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464110
(CHEMBL4238909)Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)N1CCOCC1 |r| Show InChI InChI=1S/C28H38N4O3/c33-27(34)18-24(23-3-1-5-26(17-23)32-13-15-35-16-14-32)20-31-12-10-21(19-31)6-8-25-9-7-22-4-2-11-29-28(22)30-25/h1,3,5,7,9,17,21,24H,2,4,6,8,10-16,18-20H2,(H,29,30)(H,33,34)/t21-,24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464097
(CHEMBL4237868)Show SMILES Cc1nc(C)n(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C28H36N6O2/c1-19-30-20(2)34(32-19)26-7-3-5-23(15-26)24(16-27(35)36)18-33-14-12-21(17-33)8-10-25-11-9-22-6-4-13-29-28(22)31-25/h3,5,7,9,11,15,21,24H,4,6,8,10,12-14,16-18H2,1-2H3,(H,29,31)(H,35,36)/t21-,24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464112
(CHEMBL4248589)Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cc(cc(c1)N1CCOCC1)C1CC1 |r| Show InChI InChI=1S/C31H42N4O3/c36-30(37)19-27(26-16-25(23-4-5-23)17-29(18-26)35-12-14-38-15-13-35)21-34-11-9-22(20-34)3-7-28-8-6-24-2-1-10-32-31(24)33-28/h6,8,16-18,22-23,27H,1-5,7,9-15,19-21H2,(H,32,33)(H,36,37)/t22-,27-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464098
(CHEMBL4242635)Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C1CC1 |r| Show InChI InChI=1S/C27H35N3O2/c31-26(32)16-24(23-4-1-3-22(15-23)20-7-8-20)18-30-14-12-19(17-30)6-10-25-11-9-21-5-2-13-28-27(21)29-25/h1,3-4,9,11,15,19-20,24H,2,5-8,10,12-14,16-18H2,(H,28,29)(H,31,32)/t19-,24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464115
(CHEMBL4247149)Show SMILES Cc1ccn(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r| Show InChI InChI=1S/C28H35N5O2/c1-20-11-15-33(31-20)26-6-2-4-23(16-26)24(17-27(34)35)19-32-14-12-21(18-32)7-9-25-10-8-22-5-3-13-29-28(22)30-25/h2,4,6,8,10-11,15-16,21,24H,3,5,7,9,12-14,17-19H2,1H3,(H,29,30)(H,34,35)/t21-,24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464102
(CHEMBL4251444)Show SMILES OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-n1cccn1 |r| Show InChI InChI=1S/C27H33N5O2/c33-26(34)17-23(22-4-1-6-25(16-22)32-14-3-13-29-32)19-31-15-11-20(18-31)7-9-24-10-8-21-5-2-12-28-27(21)30-24/h1,3-4,6,8,10,13-14,16,20,23H,2,5,7,9,11-12,15,17-19H2,(H,28,30)(H,33,34)/t20-,23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to alphaVbeta6 (unknown origin) by radioligand binding assay |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this Ligand-Target Pair | |
Histone acetyltransferase KAT2B
(Homo sapiens (Human)) | BDBM50234923
(CHEMBL4069412)Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Br |r| Show InChI InChI=1S/C17H21BrN4O/c1-21-10-13(12-6-4-3-5-7-12)8-14(11-21)20-15-9-19-22(2)17(23)16(15)18/h3-7,9,13-14,20H,8,10-11H2,1-2H3/t13-,14+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 1.26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Binding affinity to human partial length PCAF bromodomain expressed in mammalian expression system by BROMOscan method |
J Med Chem 60: 695-709 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01566 BindingDB Entry DOI: 10.7270/Q2W09863 |
More data for this Ligand-Target Pair | |
Histone acetyltransferase KAT2A
(Homo sapiens (Human)) | BDBM50234923
(CHEMBL4069412)Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Br |r| Show InChI InChI=1S/C17H21BrN4O/c1-21-10-13(12-6-4-3-5-7-12)8-14(11-21)20-15-9-19-22(2)17(23)16(15)18/h3-7,9,13-14,20H,8,10-11H2,1-2H3/t13-,14+/m0/s1 | PDB
KEGG
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| 1.26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Binding affinity to human partial length GCN5 expressed in bacterial expression system by BROMOscan method |
J Med Chem 60: 695-709 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01566 BindingDB Entry DOI: 10.7270/Q2W09863 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone acetyltransferase KAT2A
(Homo sapiens (Human)) | BDBM50234923
(CHEMBL4069412)Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Br |r| Show InChI InChI=1S/C17H21BrN4O/c1-21-10-13(12-6-4-3-5-7-12)8-14(11-21)20-15-9-19-22(2)17(23)16(15)18/h3-7,9,13-14,20H,8,10-11H2,1-2H3/t13-,14+/m0/s1 | PDB
KEGG
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Binding affinity to human partial length GCN5 expressed in bacterial expression system by BROMOscan method |
J Med Chem 60: 695-709 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01566 BindingDB Entry DOI: 10.7270/Q2W09863 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone acetyltransferase KAT2B
(Homo sapiens (Human)) | BDBM50234923
(CHEMBL4069412)Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Br |r| Show InChI InChI=1S/C17H21BrN4O/c1-21-10-13(12-6-4-3-5-7-12)8-14(11-21)20-15-9-19-22(2)17(23)16(15)18/h3-7,9,13-14,20H,8,10-11H2,1-2H3/t13-,14+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Binding affinity to human partial length PCAF bromodomain expressed in mammalian expression system by BROMOscan method |
J Med Chem 60: 695-709 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01566 BindingDB Entry DOI: 10.7270/Q2W09863 |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-6
(Homo sapiens (Human)) | BDBM50464126
(CHEMBL3356154)Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)NC(CC(O)=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H19Cl2N5O4/c20-12-4-11(5-13(21)7-12)15(8-17(28)29)26-16(27)9-24-18(30)10-2-1-3-14(6-10)25-19(22)23/h1-7,15H,8-9H2,(H,24,30)(H,26,27)(H,28,29)(H4,22,23,25) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Binding affinity to human integrin alphaVbeta6 assessed as dissociation constant up to 48 hrs by liquid scintillation counting |
J Med Chem 61: 8417-8443 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00959 BindingDB Entry DOI: 10.7270/Q24T6N25 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50206172
(1-(benzo[d][1,3]dioxol-5-ylmethyl)-2,3,4,9-tetrahy...)Show InChI InChI=1S/C19H18N2O2/c1-2-4-15-13(3-1)14-7-8-20-16(19(14)21-15)9-12-5-6-17-18(10-12)23-11-22-17/h1-6,10,16,20-21H,7-9,11H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2649-55 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50206189
(1-(2-(propylthio)benzyl)-2,3,4,9-tetrahydro-1H-pyr...)Show SMILES CCCSc1ccccc1CC1NCCc2c1[nH]c1ccccc21 |w:11.11| Show InChI InChI=1S/C21H24N2S/c1-2-13-24-20-10-6-3-7-15(20)14-19-21-17(11-12-22-19)16-8-4-5-9-18(16)23-21/h3-10,19,22-23H,2,11-14H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2649-55 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50206163
(1-(3-Methoxy-benzyl)-2,3,4,9-tetrahydro-1H-beta-ca...)Show InChI InChI=1S/C19H20N2O/c1-22-14-6-4-5-13(11-14)12-18-19-16(9-10-20-18)15-7-2-3-8-17(15)21-19/h2-8,11,18,20-21H,9-10,12H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2649-55 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50206164
(1-(2-(methylthio)benzyl)-2,3,4,9-tetrahydro-1H-pyr...)Show InChI InChI=1S/C19H20N2S/c1-22-18-9-5-2-6-13(18)12-17-19-15(10-11-20-17)14-7-3-4-8-16(14)21-19/h2-9,17,20-21H,10-12H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2649-55 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50206169
(1-(benzo[d][1,3]dioxol-5-ylmethyl)-6-methoxy-2,3,4...)Show SMILES COc1ccc2[nH]c3C(Cc4ccc5OCOc5c4)NCCc3c2c1 |w:8.8| Show InChI InChI=1S/C20H20N2O3/c1-23-13-3-4-16-15(10-13)14-6-7-21-17(20(14)22-16)8-12-2-5-18-19(9-12)25-11-24-18/h2-5,9-10,17,21-22H,6-8,11H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2649-55 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0 |
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 MMDB
KEGG
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| 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) |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50206175
(1-(3-methoxybenzyl)-6-methoxy-2,3,4,9-tetrahydro-1...)Show SMILES COc1cccc(CC2NCCc3c2[nH]c2ccc(OC)cc32)c1 |w:8.7| Show InChI InChI=1S/C20H22N2O2/c1-23-14-5-3-4-13(10-14)11-19-20-16(8-9-21-19)17-12-15(24-2)6-7-18(17)22-20/h3-7,10,12,19,21-22H,8-9,11H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2649-55 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50206186
(2-fluoro-6-((2,3,4,9-tetrahydro-1H-pyrido[3,4-b]in...)Show SMILES Oc1c(F)cccc1CC1NCCc2c1[nH]c1ccccc21 |w:9.9| Show InChI InChI=1S/C18H17FN2O/c19-14-6-3-4-11(18(14)22)10-16-17-13(8-9-20-16)12-5-1-2-7-15(12)21-17/h1-7,16,20-22H,8-10H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2649-55 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50257823
(CHEMBL4089551)Show SMILES Nc1nc(-c2ccc(cc2)S(N)(=O)=O)c2c(c[nH]c2n1)C#N Show InChI InChI=1S/C13H10N6O2S/c14-5-8-6-17-12-10(8)11(18-13(15)19-12)7-1-3-9(4-2-7)22(16,20)21/h1-4,6H,(H2,16,20,21)(H3,15,17,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
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| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human N-terminal GST-tagged IKKalpha (1 to 745 residues) expressed in baculovirus expression system using biotinylated IkBa... |
J Med Chem 60: 7043-7066 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50206168
(2,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibe...)Show SMILES COc1cc2CC3N(C)CCc4cc(OC)c(O)c(-c2cc1O)c34 |w:6.5| Show InChI InChI=1S/C19H21NO4/c1-20-5-4-10-7-16(24-3)19(22)18-12-9-14(21)15(23-2)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3 | PDB
Reactome pathway KEGG
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| Article PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2649-55 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50206183
((E)-6-((benzyl(methyl)amino)methyleneamino)-2,3-di...)Show SMILES CN(Cc1ccccc1)\C=N\c1ccc2CCC(OC(C)=O)c2c1 |w:17.18| Show InChI InChI=1S/C20H22N2O2/c1-15(23)24-20-11-9-17-8-10-18(12-19(17)20)21-14-22(2)13-16-6-4-3-5-7-16/h3-8,10,12,14,20H,9,11,13H2,1-2H3/b21-14+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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Similars
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2649-55 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50206178
((E)-6-((3,4-dihydroisoquinolin-2(1H)-yl)methylenea...)Show SMILES CC(=O)OC1CCc2ccc(cc12)\N=C\N1CCc2ccccc2C1 |w:4.3| Show InChI InChI=1S/C21H22N2O2/c1-15(24)25-21-9-7-17-6-8-19(12-20(17)21)22-14-23-11-10-16-4-2-3-5-18(16)13-23/h2-6,8,12,14,21H,7,9-11,13H2,1H3/b22-14+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2649-55 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50257884
(CHEMBL4065551)Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1nc(N)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C14H12N6O2S/c1-23(21,22)20-10-4-2-8(3-5-10)12-11-9(6-15)7-17-13(11)19-14(16)18-12/h2-5,7,20H,1H3,(H3,16,17,18,19) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human IKKbeta expressed in baculovirus infected sf9 insect cells using biotinylated IkBalpha as substrate after... |
J Med Chem 60: 7043-7066 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N |
More data for this Ligand-Target Pair | |
Bromodomain and PHD finger-containing protein 3
(Homo sapiens (Human)) | BDBM50234923
(CHEMBL4069412)Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Br |r| Show InChI InChI=1S/C17H21BrN4O/c1-21-10-13(12-6-4-3-5-7-12)8-14(11-21)20-15-9-19-22(2)17(23)16(15)18/h3-7,9,13-14,20H,8,10-11H2,1-2H3/t13-,14+/m0/s1 | PDB
KEGG
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Binding affinity to human partial length BRPF3 expressed in bacterial expression system by BROMOscan method |
J Med Chem 60: 695-709 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01566 BindingDB Entry DOI: 10.7270/Q2W09863 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50206161
(1-(4-(methylthio)benzyl)-2,3,4,9-tetrahydro-1H-pyr...)Show SMILES CSc1ccc(CC2NCCc3c2[nH]c2ccccc32)cc1 |w:7.6| Show InChI InChI=1S/C19H20N2S/c1-22-14-8-6-13(7-9-14)12-18-19-16(10-11-20-18)15-4-2-3-5-17(15)21-19/h2-9,18,20-21H,10-12H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2649-55 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50206174
((E)-6-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...)Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC(OC(C)=O)c2c1 |w:22.24| Show InChI InChI=1S/C23H26N2O4/c1-15(26)29-21-7-5-16-4-6-19(12-20(16)21)24-14-25-9-8-17-10-22(27-2)23(28-3)11-18(17)13-25/h4,6,10-12,14,21H,5,7-9,13H2,1-3H3/b24-14+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor |
Bioorg Med Chem Lett 17: 2649-55 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50206173
((E)-7-((3,4-dihydroisoquinolin-2(1H)-yl)methylenea...)Show SMILES CC(=O)OC1CCCc2ccc(cc12)\N=C\N1CCc2ccccc2C1 |w:4.3| Show InChI InChI=1S/C22H24N2O2/c1-16(25)26-22-8-4-7-18-9-10-20(13-21(18)22)23-15-24-12-11-17-5-2-3-6-19(17)14-24/h2-3,5-6,9-10,13,15,22H,4,7-8,11-12,14H2,1H3/b23-15+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2649-55 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50206190
((E)-3-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...)Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCCC(OC(C)=O)c2c1 |w:24.26| Show InChI InChI=1S/C25H30N2O4/c1-17(28)31-23-7-5-4-6-18-8-9-21(14-22(18)23)26-16-27-11-10-19-12-24(29-2)25(30-3)13-20(19)15-27/h8-9,12-14,16,23H,4-7,10-11,15H2,1-3H3/b26-16+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor |
Bioorg Med Chem Lett 17: 2649-55 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50206165
((E)-7-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...)Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCC(OC(C)=O)c2c1 |w:23.25| Show InChI InChI=1S/C24H28N2O4/c1-16(27)30-22-6-4-5-17-7-8-20(13-21(17)22)25-15-26-10-9-18-11-23(28-2)24(29-3)12-19(18)14-26/h7-8,11-13,15,22H,4-6,9-10,14H2,1-3H3/b25-15+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor |
Bioorg Med Chem Lett 17: 2649-55 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50206162
((E)-N-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...)Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CC3SCCSC3c2c1 |w:21.22,26.27| Show InChI InChI=1S/C23H26N2O2S2/c1-26-20-9-15-5-6-25(13-17(15)10-21(20)27-2)14-24-18-4-3-16-11-22-23(19(16)12-18)29-8-7-28-22/h3-4,9-10,12,14,22-23H,5-8,11,13H2,1-2H3/b24-14+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2649-55 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0 |
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 MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
| Article PubMed
| 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 | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50206162
((E)-N-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...)Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CC3SCCSC3c2c1 |w:21.22,26.27| Show InChI InChI=1S/C23H26N2O2S2/c1-26-20-9-15-5-6-25(13-17(15)10-21(20)27-2)14-24-18-4-3-16-11-22-23(19(16)12-18)29-8-7-28-22/h3-4,9-10,12,14,22-23H,5-8,11,13H2,1-2H3/b24-14+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor |
Bioorg Med Chem Lett 17: 2649-55 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0 |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50206177
((E)-3-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...)Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCCC(O)c2c1 |w:24.26| Show InChI InChI=1S/C23H28N2O3/c1-27-22-11-17-9-10-25(14-18(17)12-23(22)28-2)15-24-19-8-7-16-5-3-4-6-21(26)20(16)13-19/h7-8,11-13,15,21,26H,3-6,9-10,14H2,1-2H3/b24-15+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor |
Bioorg Med Chem Lett 17: 2649-55 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50206184
((E)-N-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...)Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC3SCCSC3c2c1 |w:22.23,27.28| Show InChI InChI=1S/C24H28N2O2S2/c1-27-21-11-17-7-8-26(14-18(17)12-22(21)28-2)15-25-19-5-3-16-4-6-23-24(20(16)13-19)30-10-9-29-23/h3,5,11-13,15,23-24H,4,6-10,14H2,1-2H3/b25-15+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2649-55 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50257927
(CHEMBL4061406)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(N)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C14H11N5O2S/c1-22(20,21)10-4-2-8(3-5-10)12-11-9(6-15)7-17-13(11)19-14(16)18-12/h2-5,7H,1H3,(H3,16,17,18,19) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human IKKbeta expressed in baculovirus infected sf9 insect cells using biotinylated IkBalpha as substrate after... |
J Med Chem 60: 7043-7066 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50206192
((E)-6-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...)Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC(O)c2c1 |w:22.24| Show InChI InChI=1S/C21H24N2O3/c1-25-20-9-15-7-8-23(12-16(15)10-21(20)26-2)13-22-17-5-3-14-4-6-19(24)18(14)11-17/h3,5,9-11,13,19,24H,4,6-8,12H2,1-2H3/b22-13+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Displacement of [3H]N-methylscopolamine from muscarinic M4 receptor |
Bioorg Med Chem Lett 17: 2649-55 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50257824
(CHEMBL4074174)Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1nc(N)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C14H12N6O2S/c1-17-23(21,22)10-4-2-8(3-5-10)12-11-9(6-15)7-18-13(11)20-14(16)19-12/h2-5,7,17H,1H3,(H3,16,18,19,20) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human IKKbeta expressed in baculovirus infected sf9 insect cells using biotinylated IkBalpha as substrate after... |
J Med Chem 60: 7043-7066 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00484 BindingDB Entry DOI: 10.7270/Q2M90C4N |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50206165
((E)-7-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)...)Show SMILES COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCC(OC(C)=O)c2c1 |w:23.25| Show InChI InChI=1S/C24H28N2O4/c1-16(27)30-22-6-4-5-17-7-8-20(13-21(17)22)25-15-26-10-9-18-11-23(28-2)24(29-3)12-19(18)14-26/h7-8,11-13,15,22H,4-6,9-10,14H2,1-3H3/b25-15+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Strathclyde
Curated by ChEMBL
| Assay Description Displacement of [3H]5CT from 5HT7 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2649-55 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.093 BindingDB Entry DOI: 10.7270/Q2WQ03F0 |
More data for this Ligand-Target Pair | |