Found 3332 hits with Last Name = 'min' and Initial = 'h' 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) | 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) | 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) | 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) | 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) | 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) | 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) | 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) | 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) | 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) | 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) | 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) | 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 | |
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
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| 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
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GoogleScholar
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| 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
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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 | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50058163
(Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...)Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)| Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
MCE
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| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceuticals Research Institute
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 305: 57-69 (2003)
Article DOI: 10.1124/jpet.102.046128
BindingDB Entry DOI: 10.7270/Q20K273G |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50087713
((1-Ethyl-propyl)-[3-(4-methoxy-2-methyl-phenyl)-2,...)Show SMILES CCC(CC)Nc1cc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-4.03,1.25,;-2.68,.48,;-1.35,1.27,;-1.37,2.81,;-2.86,3.21,;-.02,.5,;-.02,-1.04,;-1.34,-1.81,;-1.34,-3.35,;-2.66,-4.12,;,-4.12,;1.33,-3.35,;2.8,-3.8,;3.7,-2.55,;5.24,-2.53,;2.77,-1.32,;1.33,-1.81,;3.3,-5.26,;2.28,-6.39,;2.77,-7.87,;4.28,-8.16,;4.78,-9.63,;3.76,-10.79,;5.3,-7,;4.79,-5.55,;5.82,-4.4,)| Show InChI InChI=1S/C21H28N4O/c1-7-16(8-2)23-19-12-14(4)22-21-20(15(5)24-25(19)21)18-10-9-17(26-6)11-13(18)3/h9-12,16,23H,7-8H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceuticals Research Institute
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 305: 57-69 (2003)
Article DOI: 10.1124/jpet.102.046128
BindingDB Entry DOI: 10.7270/Q20K273G |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50176610
(CHEMBL3808876)Show SMILES NS(=O)(=O)c1ccc(Nc2csc(Nc3ccc(cc3)S(N)(=O)=O)n2)cc1 Show InChI InChI=1S/C15H15N5O4S3/c16-26(21,22)12-5-1-10(2-6-12)18-14-9-25-15(20-14)19-11-3-7-13(8-4-11)27(17,23)24/h1-9,18H,(H,19,20)(H2,16,21,22)(H2,17,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50176458
(CHEMBL3809959)Show InChI InChI=1S/C14H18N4O2S2/c15-22(19,20)12-6-4-11(5-7-12)16-14-17-13(10-21-14)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,16,17)(H2,15,19,20) | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50263671
(2-(tert-butylamino)-N-(2-(4-((2,3-dihydrobenzo[b][...)Show SMILES CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 Show InChI InChI=1S/C26H37N5O3/c1-26(2,3)29-24-21(8-6-11-27-24)25(32)28-12-15-30-13-7-14-31(17-16-30)18-20-19-33-22-9-4-5-10-23(22)34-20/h4-6,8-11,20H,7,12-19H2,1-3H3,(H,27,29)(H,28,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay |
Bioorg Med Chem Lett 18: 5689-93 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z |
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 | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50176697
(CHEMBL3809123)Show SMILES [#7]\[#6](-[#7])=[#7]\S(=O)(=O)c1ccc(-[#7]\[#7]=[#6]-2/[#16]-[#6](-[#7]-c3ccc(cc3)S([#7])(=O)=O)=[#7]-[#6]-2=O)cc1 |c:27| Show InChI InChI=1S/C16H16N8O5S3/c17-15(18)24-32(28,29)12-7-3-10(4-8-12)22-23-14-13(25)21-16(30-14)20-9-1-5-11(6-2-9)31(19,26)27/h1-8,22H,(H4,17,18,24)(H2,19,26,27)(H,20,21,25)/b23-14- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50176459
(CHEMBL3809207)Show InChI InChI=1S/C15H13FN4O2S2/c16-10-1-3-11(4-2-10)18-14-9-23-15(20-14)19-12-5-7-13(8-6-12)24(17,21)22/h1-9,18H,(H,19,20)(H2,17,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50263673
(6-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)Show SMILES CCCCOc1cccc(n1)C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-25-11-6-8-22(28-25)26(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31) | PDB
UniProtKB/SwissProt
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 Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay |
Bioorg Med Chem Lett 18: 5689-93 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z |
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 | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50176460
(CHEMBL3808746)Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(cc3)C(O)=O)cs2)cc1 Show InChI InChI=1S/C16H14N4O4S2/c17-26(23,24)13-7-5-12(6-8-13)19-16-20-14(9-25-16)18-11-3-1-10(2-4-11)15(21)22/h1-9,18H,(H,19,20)(H,21,22)(H2,17,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC |
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 | |
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 | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50263621
(2-(3-cyanophenoxy)-N-(2-(4-((2,3-dihydrobenzo[b][1...)Show SMILES O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1cccc(c1)C#N Show InChI InChI=1S/C29H31N5O4/c30-19-22-6-3-7-23(18-22)38-29-25(8-4-11-32-29)28(35)31-12-15-33-13-5-14-34(17-16-33)20-24-21-36-26-9-1-2-10-27(26)37-24/h1-4,6-11,18,24H,5,12-17,20-21H2,(H,31,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay |
Bioorg Med Chem Lett 18: 5689-93 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50263672
(2-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-...)Show SMILES CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1 Show InChI InChI=1S/C26H36N4O4/c1-2-3-18-32-26-22(8-6-11-28-26)25(31)27-12-15-29-13-7-14-30(17-16-29)19-21-20-33-23-9-4-5-10-24(23)34-21/h4-6,8-11,21H,2-3,7,12-20H2,1H3,(H,27,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay |
Bioorg Med Chem Lett 18: 5689-93 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50176458
(CHEMBL3809959)Show InChI InChI=1S/C14H18N4O2S2/c15-22(19,20)12-6-4-11(5-7-12)16-14-17-13(10-21-14)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,16,17)(H2,15,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50176697
(CHEMBL3809123)Show SMILES [#7]\[#6](-[#7])=[#7]\S(=O)(=O)c1ccc(-[#7]\[#7]=[#6]-2/[#16]-[#6](-[#7]-c3ccc(cc3)S([#7])(=O)=O)=[#7]-[#6]-2=O)cc1 |c:27| Show InChI InChI=1S/C16H16N8O5S3/c17-15(18)24-32(28,29)12-7-3-10(4-8-12)22-23-14-13(25)21-16(30-14)20-9-1-5-11(6-2-9)31(19,26)27/h1-8,22H,(H4,17,18,24)(H2,19,26,27)(H,20,21,25)/b23-14- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50263774
((S)-N-{2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmeth...)Show SMILES O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 |r| Show InChI InChI=1S/C28H32N4O4/c33-27(24-10-6-13-30-28(24)36-22-8-2-1-3-9-22)29-14-17-31-15-7-16-32(19-18-31)20-23-21-34-25-11-4-5-12-26(25)35-23/h1-6,8-13,23H,7,14-21H2,(H,29,33)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at human recombinant adrenergic alpha2C receptor expressed in CHO cells by radioligand binding assay |
Bioorg Med Chem Lett 18: 5689-93 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.055
BindingDB Entry DOI: 10.7270/Q2N58M5Z |
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 | |
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