Found 1740 hits with Last Name = 'easton' and Initial = 'a' 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 |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311157
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-(trifl...)Show SMILES CC(C)C[C@H](N)COc1ccc(cc1C(F)(F)F)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C20H24F3N3O2/c1-12(2)8-16(24)11-28-18-5-4-14(9-17(18)20(21,22)23)15-6-7-25-19(10-15)26-13(3)27/h4-7,9-10,12,16H,8,11,24H2,1-3H3,(H,25,26,27)/t16-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311158
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-(trifl...)Show SMILES CC(C)C[C@H](N)COc1ccc(cc1OC(F)(F)F)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C20H24F3N3O3/c1-12(2)8-16(24)11-28-17-5-4-14(9-18(17)29-20(21,22)23)15-6-7-25-19(10-15)26-13(3)27/h4-7,9-10,12,16H,8,11,24H2,1-3H3,(H,25,26,27)/t16-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311155
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-cyanop...)Show SMILES CC(C)C[C@H](N)COc1ccc(cc1C#N)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C20H24N4O2/c1-13(2)8-18(22)12-26-19-5-4-15(9-17(19)11-21)16-6-7-23-20(10-16)24-14(3)25/h4-7,9-10,13,18H,8,12,22H2,1-3H3,(H,23,24,25)/t18-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311170
((S)-N-(4-(4-((2-amino-2,4-dimethylpentyl)oxy)-3-(t...)Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C21H26F3N3O2/c1-13(2)11-20(4,25)12-29-18-6-5-15(9-17(18)21(22,23)24)16-7-8-26-19(10-16)27-14(3)28/h5-10,13H,11-12,25H2,1-4H3,(H,26,27,28)/t20-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311180
((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C(F)F |r| Show InChI InChI=1S/C21H27F2N3O3/c1-13(2)11-21(3,24)12-29-17-6-5-14(9-16(17)19(22)23)15-7-8-25-18(10-15)26-20(27)28-4/h5-10,13,19H,11-12,24H2,1-4H3,(H,25,26,27)/t21-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311182
((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(OC(F)(F)F)c1 |r| Show InChI InChI=1S/C21H26F3N3O4/c1-13(2)11-20(3,25)12-30-16-6-5-14(9-17(16)31-21(22,23)24)15-7-8-26-18(10-15)27-19(28)29-4/h5-10,13H,11-12,25H2,1-4H3,(H,26,27,28)/t20-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311268
((S)-1-((2′,4-bis(difluoromethyl)-[2,4′...)Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(c1)C(F)F |r| Show InChI InChI=1S/C19H23F4N3O/c1-11(2)8-19(3,24)10-27-16-9-26-14(7-13(16)17(20)21)12-4-5-25-15(6-12)18(22)23/h4-7,9,11,17-18H,8,10,24H2,1-3H3/t19-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311189
((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C1CC1 |r| Show InChI InChI=1S/C23H31N3O3/c1-15(2)13-23(3,24)14-29-20-8-7-17(11-19(20)16-5-6-16)18-9-10-25-21(12-18)26-22(27)28-4/h7-12,15-16H,5-6,13-14,24H2,1-4H3,(H,25,26,27)/t23-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311179
((S)-N-(4-(4-((2-amino-2,4-dimethylpentyl)oxy)-3-(d...)Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)F)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C21H27F2N3O2/c1-13(2)11-21(4,24)12-28-18-6-5-15(9-17(18)20(22)23)16-7-8-25-19(10-16)26-14(3)27/h5-10,13,20H,11-12,24H2,1-4H3,(H,25,26,27)/t21-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311176
((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H26F3N3O3/c1-13(2)11-20(3,25)12-30-17-6-5-14(9-16(17)21(22,23)24)15-7-8-26-18(10-15)27-19(28)29-4/h5-10,13H,11-12,25H2,1-4H3,(H,26,27,28)/t20-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311160
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-chloro...)Show SMILES CC(C)C[C@H](N)COc1ccc(cc1Cl)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C19H24ClN3O2/c1-12(2)8-16(21)11-25-18-5-4-14(9-17(18)20)15-6-7-22-19(10-15)23-13(3)24/h4-7,9-10,12,16H,8,11,21H2,1-3H3,(H,22,23,24)/t16-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311264
((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-4-...)Show SMILES COC(=O)Nc1cc(ccn1)-c1cc(C(F)F)c(OC[C@@](C)(N)CC(C)C)cn1 |r| Show InChI InChI=1S/C20H26F2N4O3/c1-12(2)9-20(3,23)11-29-16-10-25-15(8-14(16)18(21)22)13-5-6-24-17(7-13)26-19(27)28-4/h5-8,10,12,18H,9,11,23H2,1-4H3,(H,24,26,27)/t20-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311261
((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-6-...)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(n1)C(F)F |r| Show InChI InChI=1S/C20H26F2N4O3/c1-12(2)10-20(3,23)11-29-15-6-5-14(25-17(15)18(21)22)13-7-8-24-16(9-13)26-19(27)28-4/h5-9,12,18H,10-11,23H2,1-4H3,(H,24,26,27)/t20-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311178
((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C#N |r| Show InChI InChI=1S/C21H26N4O3/c1-14(2)11-21(3,23)13-28-18-6-5-15(9-17(18)12-22)16-7-8-24-19(10-16)25-20(26)27-4/h5-10,14H,11,13,23H2,1-4H3,(H,24,25,26)/t21-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311181
((S)-N-(4-(4-((2-amino-2,4-dimethylpentyl)oxy)-3-(t...)Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1OC(F)(F)F)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C21H26F3N3O3/c1-13(2)11-20(4,25)12-29-17-6-5-15(9-18(17)30-21(22,23)24)16-7-8-26-19(10-16)27-14(3)28/h5-10,13H,11-12,25H2,1-4H3,(H,26,27,28)/t20-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM50604135
(CHEMBL5198877)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(C)c1 |r| | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311165
((S)-methyl (4-(4-((2-amino-4-methylpentyl)oxy)-3-(...)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@H](N)CC(C)C)c(c1)-c1ccno1 |r| Show InChI InChI=1S/C22H26N4O4/c1-14(2)10-17(23)13-29-19-5-4-15(11-18(19)20-7-9-25-30-20)16-6-8-24-21(12-16)26-22(27)28-3/h4-9,11-12,14,17H,10,13,23H2,1-3H3,(H,24,26,27)/t17-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311159
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methyl...)Show SMILES CC(C)C[C@H](N)COc1ccc(cc1C)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C20H27N3O2/c1-13(2)9-18(21)12-25-19-6-5-16(10-14(19)3)17-7-8-22-20(11-17)23-15(4)24/h5-8,10-11,13,18H,9,12,21H2,1-4H3,(H,22,23,24)/t18-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311177
((S)-N-(4-(4-((2-amino-2,4-dimethylpentyl)oxy)-3-cy...)Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C#N)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C21H26N4O2/c1-14(2)11-21(4,23)13-27-19-6-5-16(9-18(19)12-22)17-7-8-24-20(10-17)25-15(3)26/h5-10,14H,11,13,23H2,1-4H3,(H,24,25,26)/t21-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM50604134
(CHEMBL5187778)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(Cl)c1 |r| | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311380
((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-4-...)Show SMILES COC(=O)Nc1cc(ccn1)-c1cc(Cl)c(OC[C@@](C)(N)CC(C)C)cn1 |r| Show InChI InChI=1S/C19H25ClN4O3/c1-12(2)9-19(3,21)11-27-16-10-23-15(8-14(16)20)13-5-6-22-17(7-13)24-18(25)26-4/h5-8,10,12H,9,11,21H2,1-4H3,(H,22,24,25)/t19-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM50604141
(CHEMBL5188433)Show SMILES COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(Cl)c1 |r| | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50343081
(CHEMBL1771216 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCCCn2nnc(n2)-c2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C26H31F3N6O7S/c1-40-18-16-34-14-11-25(12-15-34,24(36)32-37)43(38,39)22-9-7-20(8-10-22)41-17-2-13-35-31-23(30-33-35)19-3-5-21(6-4-19)42-26(27,28)29/h3-10,37H,2,11-18H2,1H3,(H,32,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP-13 |
Bioorg Med Chem Lett 21: 2820-2 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.099 BindingDB Entry DOI: 10.7270/Q2416XCK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
AP2-associated protein kinase 1
(Mus musculus) | BDBM50604140
(CHEMBL5185000)Show SMILES COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(c1)C#N |r| | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311210
((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-6-...)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(Cl)n1 |r| Show InChI InChI=1S/C19H25ClN4O3/c1-12(2)10-19(3,21)11-27-15-6-5-14(23-17(15)20)13-7-8-22-16(9-13)24-18(25)26-4/h5-9,12H,10-11,21H2,1-4H3,(H,22,24,25)/t19-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311266
((S)-1-((4-(difluoromethyl)-2′-methyl-[2,4...)Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C19H25F2N3O/c1-12(2)9-19(4,22)11-25-17-10-24-16(8-15(17)18(20)21)14-5-6-23-13(3)7-14/h5-8,10,12,18H,9,11,22H2,1-4H3/t19-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311184
((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(F)c1 |r| Show InChI InChI=1S/C20H26FN3O3/c1-13(2)11-20(3,22)12-27-17-6-5-14(9-16(17)21)15-7-8-23-18(10-15)24-19(25)26-4/h5-10,13H,11-12,22H2,1-4H3,(H,23,24,25)/t20-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM50604138
(CHEMBL5184381)Show SMILES COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(C)c1 |r| | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311183
((S)-N-(4-(4-((2-amino-2,4-dimethylpentyl)oxy)-3-fl...)Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1F)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C20H26FN3O2/c1-13(2)11-20(4,22)12-26-18-6-5-15(9-17(18)21)16-7-8-23-19(10-16)24-14(3)25/h5-10,13H,11-12,22H2,1-4H3,(H,23,24,25)/t20-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM50604136
(CHEMBL5180992)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(C)c1C |r| | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311208
((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-6-...)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(C)n1 |r| Show InChI InChI=1S/C20H28N4O3/c1-13(2)11-20(4,21)12-27-17-7-6-16(23-14(17)3)15-8-9-22-18(10-15)24-19(25)26-5/h6-10,13H,11-12,21H2,1-5H3,(H,22,24,25)/t20-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311269
((S)-1-((2′-(difluoromethyl)-4-methyl-[2,4...)Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C)-c1ccnc(c1)C(F)F |r| Show InChI InChI=1S/C19H25F2N3O/c1-12(2)9-19(4,22)11-25-17-10-24-15(7-13(17)3)14-5-6-23-16(8-14)18(20)21/h5-8,10,12,18H,9,11,22H2,1-4H3/t19-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311153
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-fluoro...)Show SMILES CC(C)C[C@H](N)COc1ccc(cc1F)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C19H24FN3O2/c1-12(2)8-16(21)11-25-18-5-4-14(9-17(18)20)15-6-7-22-19(10-15)23-13(3)24/h4-7,9-10,12,16H,8,11,21H2,1-3H3,(H,22,23,24)/t16-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50536712
(CHEMBL4571075)Show SMILES Clc1ccccc1[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C22H15ClN2O2/c23-19-9-5-4-8-18(19)21-20(25-22(26)27-21)17-12-16(13-24-14-17)11-10-15-6-2-1-3-7-15/h1-9,12-14,20-21H,(H,25,26)/t20-,21-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
| Assay Description Displacement of [3H]-MPEPy from human mGluR5A transfected in HEK293 cell membranes after 60 mins by microbeta liquid scintillation counting analysis |
Bioorg Med Chem Lett 26: 4165-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.065 BindingDB Entry DOI: 10.7270/Q2HX1H5D |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311163
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-2,5-difl...)Show SMILES CC(C)C[C@H](N)COc1cc(F)c(cc1F)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C19H23F2N3O2/c1-11(2)6-14(22)10-26-18-9-16(20)15(8-17(18)21)13-4-5-23-19(7-13)24-12(3)25/h4-5,7-9,11,14H,6,10,22H2,1-3H3,(H,23,24,25)/t14-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50343083
(CHEMBL1771218 | N-hydroxy-4-(4-(3-(5-(5-methylpyri...)Show SMILES Cc1ccc(nc1)-c1nnnn1CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO Show InChI InChI=1S/C22H26N6O6S/c1-16-3-8-19(23-15-16)20-24-26-27-28(20)11-2-12-34-17-4-6-18(7-5-17)35(31,32)22(21(29)25-30)9-13-33-14-10-22/h3-8,15,30H,2,9-14H2,1H3,(H,25,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP-13 |
Bioorg Med Chem Lett 21: 2820-2 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.099 BindingDB Entry DOI: 10.7270/Q2416XCK |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311188
((S)-methyl (4-(4-((2-amino-2,4-dimethylpentyl)oxy)...)Show SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(CO)c1 |r| Show InChI InChI=1S/C21H29N3O4/c1-14(2)11-21(3,22)13-28-18-6-5-15(9-17(18)12-25)16-7-8-23-19(10-16)24-20(26)27-4/h5-10,14,25H,11-13,22H2,1-4H3,(H,23,24,26)/t21-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50343080
(CHEMBL1771215 | N-hydroxy-4-(4-(3-(5-(4-(trifluoro...)Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCn2nnc(n2)-c2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C23H24F3N5O7S/c24-23(25,26)38-18-4-2-16(3-5-18)20-27-30-31(28-20)12-1-13-37-17-6-8-19(9-7-17)39(34,35)22(21(32)29-33)10-14-36-15-11-22/h2-9,33H,1,10-15H2,(H,29,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP-13 |
Bioorg Med Chem Lett 21: 2820-2 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.099 BindingDB Entry DOI: 10.7270/Q2416XCK |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50343082
(CHEMBL1771217 | N-hydroxy-4-(4-(3-(5-(5-methylpyri...)Show SMILES Cc1ccc(nc1)-c1nnn(CCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)n1 Show InChI InChI=1S/C22H26N6O6S/c1-16-3-8-19(23-15-16)20-24-27-28(25-20)11-2-12-34-17-4-6-18(7-5-17)35(31,32)22(21(29)26-30)9-13-33-14-10-22/h3-8,15,30H,2,9-14H2,1H3,(H,26,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP-13 |
Bioorg Med Chem Lett 21: 2820-2 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.099 BindingDB Entry DOI: 10.7270/Q2416XCK |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311381
((S)-1-((4-chloro-2′-methyl-[2,4′-bipyr...)Show SMILES CC(C)C[C@](C)(N)COc1cnc(cc1Cl)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C23H32ClN3O3/c1-15(2)12-23(7,27-21(28)30-22(4,5)6)14-29-20-13-26-19(11-18(20)24)17-8-9-25-16(3)10-17/h8-11,13,15H,12,14H2,1-7H3,(H,27,28)/t23-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM50604133
(CHEMBL5193012)Show SMILES CC(C)C[C@H](N)COc1ccc(cc1)-c1ccnc(NC(C)=O)c1 |r| | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311154
((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methox...)Show SMILES COc1cc(ccc1OC[C@@H](N)CC(C)C)-c1ccnc(NC(C)=O)c1 |r| Show InChI InChI=1S/C20H27N3O3/c1-13(2)9-17(21)12-26-18-6-5-15(10-19(18)25-4)16-7-8-22-20(11-16)23-14(3)24/h5-8,10-11,13,17H,9,12,21H2,1-4H3,(H,22,23,24)/t17-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.960 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50209103
(CHEMBL3885379)Show SMILES FC(F)(F)c1c(OC[C@H]2C[C@@H]2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12 |r| Show InChI InChI=1S/C21H19ClF3N3O/c22-15-5-3-13(4-6-15)16-10-14(16)11-29-17-7-8-28-18(9-12-1-2-12)26-27-20(28)19(17)21(23,24)25/h3-8,12,14,16H,1-2,9-11H2/t14-,16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Displacement of [3H]-JNJ-40068782 from human mGlu2 receptor expressed in HEK293 cell membranes coexpressing rat glutamate transporter measured after ... |
Bioorg Med Chem 25: 496-513 (2017)
Article DOI: 10.1016/j.bmc.2016.11.018 BindingDB Entry DOI: 10.7270/Q2QR504D |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50343088
(CHEMBL1771223 | N-hydroxy-4-(4-(3-(1-(4-(trifluoro...)Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCc2nnnn2-c2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C23H24F3N5O7S/c24-23(25,26)38-18-5-3-16(4-6-18)31-20(27-29-30-31)2-1-13-37-17-7-9-19(10-8-17)39(34,35)22(21(32)28-33)11-14-36-15-12-22/h3-10,33H,1-2,11-15H2,(H,28,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human MMP-13 |
Bioorg Med Chem Lett 21: 2820-2 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.099 BindingDB Entry DOI: 10.7270/Q2416XCK |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50206243
(CHEMBL3918431)Show SMILES C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:18.19:22.21,THB:0:15:18.19:22.21,(17.63,-8.02,;19,-7.33,;18.76,-5.81,;19.85,-4.72,;21.34,-5.11,;22.41,-4.02,;23.9,-4.41,;24.98,-3.32,;26.47,-3.71,;26.88,-5.2,;25.79,-6.3,;24.3,-5.9,;23.22,-7,;21.73,-6.6,;17.24,-5.56,;16.54,-6.93,;15.8,-8.21,;14.52,-7.62,;14.52,-5.71,;15.36,-4.63,;15.36,-6.25,;13.79,-6.93,;13,-8.11,)| Show InChI InChI=1S/C18H20N4O/c1-2-4-14-10-19-16(9-13(14)3-1)21-17-20-11-18(23-17)12-22-7-5-15(18)6-8-22/h1-4,9-10,15H,5-8,11-12H2,(H,19,20,21)/t18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in HEK293 cell membranes incubated for 2 hrs and measured by gamma countin... |
ACS Med Chem Lett 8: 366-371 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00032 BindingDB Entry DOI: 10.7270/Q2S46V8B |
More data for this Ligand-Target Pair | |
AP2-associated protein kinase 1
(Mus musculus) | BDBM311212
((S)-methyl (5-((2-amino-2,4-dimethylpentyl)oxy)-4-...)Show SMILES COC(=O)Nc1cc(ccn1)-c1cc(C)c(OC[C@@](C)(N)CC(C)C)cn1 |r| Show InChI InChI=1S/C20H28N4O3/c1-13(2)10-20(4,21)12-27-17-11-23-16(8-14(17)3)15-6-7-22-18(9-15)24-19(25)26-5/h6-9,11,13H,10,12,21H2,1-5H3,(H,22,24,25)/t20-/m0/s1 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02132 BindingDB Entry DOI: 10.7270/Q2TH8RSP |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50536718
(CHEMBL4545607)Show SMILES Fc1cc(F)cc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C22H14F2N2O2/c23-18-9-16(10-19(24)11-18)21-20(26-22(27)28-21)17-8-15(12-25-13-17)7-6-14-4-2-1-3-5-14/h1-5,8-13,20-21H,(H,26,27)/t20-,21-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
| Assay Description Displacement of [3H]-MPEPy from human mGluR5A transfected in HEK293 cell membranes after 60 mins by microbeta liquid scintillation counting analysis |
Bioorg Med Chem Lett 26: 4165-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.065 BindingDB Entry DOI: 10.7270/Q2HX1H5D |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50536717
(CHEMBL4574977)Show SMILES Fc1ccc([C@H]2OC(=O)N[C@@H]2c2cncc(c2)C#Cc2ccccc2)c(F)c1 |r| Show InChI InChI=1S/C22H14F2N2O2/c23-17-8-9-18(19(24)11-17)21-20(26-22(27)28-21)16-10-15(12-25-13-16)7-6-14-4-2-1-3-5-14/h1-5,8-13,20-21H,(H,26,27)/t20-,21-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
| Assay Description Displacement of [3H]-MPEPy from human mGluR5A transfected in HEK293 cell membranes after 60 mins by microbeta liquid scintillation counting analysis |
Bioorg Med Chem Lett 26: 4165-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.065 BindingDB Entry DOI: 10.7270/Q2HX1H5D |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50536704
(CHEMBL4580610)Show SMILES O=C1N[C@@H]([C@H](O1)c1ccccc1)c1cncc(c1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C22H16N2O2/c25-22-24-20(21(26-22)18-9-5-2-6-10-18)19-13-17(14-23-15-19)12-11-16-7-3-1-4-8-16/h1-10,13-15,20-21H,(H,24,25)/t20-,21-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
| Assay Description Displacement of [3H]-MPEPy from human mGluR5A transfected in HEK293 cell membranes after 60 mins by microbeta liquid scintillation counting analysis |
Bioorg Med Chem Lett 26: 4165-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.065 BindingDB Entry DOI: 10.7270/Q2HX1H5D |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50169541
(CHEMBL3805542)Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C24H27N7O3/c1-2-3-13-34-24(32)30-11-9-29(10-12-30)18-7-4-6-17(15-18)19-16-21-27-22(20-8-5-14-33-20)28-31(21)23(25)26-19/h4-8,14-16H,2-3,9-13H2,1H3,(H2,25,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development
Curated by ChEMBL
| Assay Description Displacement of [3H]MPEPgamma in mGlu5 receptor (unknown origin) incubated for 60 mins by liquid scintillation counting method |
ACS Med Chem Lett 7: 289-93 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00450 BindingDB Entry DOI: 10.7270/Q28G8NMW |
More data for this Ligand-Target Pair | |