Found 392 hits with Last Name = 'habashita' 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 |
|---|
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553757
(CHEMBL4746471)Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4cc3OC(F)(F)F)cnc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| 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 |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50250631
(CHEMBL4093489)Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14| Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.574 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [33P]-S1P from human S1P5 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method |
J Med Chem 60: 9508-9530 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00785
BindingDB Entry DOI: 10.7270/Q2J968SK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50250631
(CHEMBL4093489)Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14| Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.626 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method |
J Med Chem 60: 9508-9530 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00785
BindingDB Entry DOI: 10.7270/Q2J968SK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Rattus norvegicus) | BDBM50250631
(CHEMBL4093489)Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14| Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.772 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [33P]-S1P from rat S1P1 receptor after 60 mins by scintillation counting method |
J Med Chem 60: 9508-9530 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00785
BindingDB Entry DOI: 10.7270/Q2J968SK |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553762
(CHEMBL4758608)Show SMILES Cc1cc(Nc2ccc(cn2)-c2cnc3ncccn23)nc2n(CC3CC3)cnc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50076285
(1-Acetyl-piperidine-4-carboxylic acid (2-benzo[1,3...)Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCc1ccc2OCOc2c1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1 Show InChI InChI=1S/C35H41ClN4O6/c1-24(41)39-16-13-27(14-17-39)35(44)40(15-12-26-10-11-32-33(19-26)46-23-45-32)22-31(42)30(18-25-6-3-2-4-7-25)38-34(43)21-37-29-9-5-8-28(36)20-29/h2-11,19-20,27,30-31,37,42H,12-18,21-23H2,1H3,(H,38,43)/t30-,31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibitory activity against human liver cathepsin D |
J Med Chem 42: 1428-40 (1999)
Article DOI: 10.1021/jm980641t
BindingDB Entry DOI: 10.7270/Q2MS3RZX |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50076294
(1-Acetyl-piperidine-4-carboxylic acid (2-benzo[1,3...)Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCc1ccc2OCOc2c1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(Cl)c1 Show InChI InChI=1S/C35H40ClN3O7/c1-24(40)38-16-13-27(14-17-38)35(43)39(15-12-26-10-11-32-33(19-26)46-23-45-32)21-31(41)30(18-25-6-3-2-4-7-25)37-34(42)22-44-29-9-5-8-28(36)20-29/h2-11,19-20,27,30-31,41H,12-18,21-23H2,1H3,(H,37,42)/t30-,31-/m0/s1 | 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
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibitory activity against human liver cathepsin D |
J Med Chem 42: 1428-40 (1999)
Article DOI: 10.1021/jm980641t
BindingDB Entry DOI: 10.7270/Q2MS3RZX |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553764
(CHEMBL4749423)Show SMILES Fc1cc(Nc2nc3n(CC4CC4)cnc3c(F)c2F)ccc1-n1ccnc1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50076292
(1-Methyl-piperidine-4-carboxylic acid {(2S,3S)-3-[...)Show SMILES COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc2cccc(Cl)c2)C(=O)C2CCN(C)CC2)cc1 Show InChI InChI=1S/C34H42ClN3O5/c1-37-18-16-27(17-19-37)34(41)38(20-15-25-11-13-29(42-2)14-12-25)23-32(39)31(21-26-7-4-3-5-8-26)36-33(40)24-43-30-10-6-9-28(35)22-30/h3-14,22,27,31-32,39H,15-21,23-24H2,1-2H3,(H,36,40)/t31-,32-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibitory activity against Plasmepsin 2 |
J Med Chem 42: 1428-40 (1999)
Article DOI: 10.1021/jm980641t
BindingDB Entry DOI: 10.7270/Q2MS3RZX |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50076291
(1-Methyl-piperidine-4-carboxylic acid (2-benzo[1,3...)Show SMILES CN1CCC(CC1)C(=O)N(CCc1ccc2OCOc2c1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(Cl)c1 Show InChI InChI=1S/C34H40ClN3O6/c1-37-15-13-26(14-16-37)34(41)38(17-12-25-10-11-31-32(19-25)44-23-43-31)21-30(39)29(18-24-6-3-2-4-7-24)36-33(40)22-42-28-9-5-8-27(35)20-28/h2-11,19-20,26,29-30,39H,12-18,21-23H2,1H3,(H,36,40)/t29-,30-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibitory activity against Plasmepsin 2 |
J Med Chem 42: 1428-40 (1999)
Article DOI: 10.1021/jm980641t
BindingDB Entry DOI: 10.7270/Q2MS3RZX |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553761
(CHEMBL4756857)Show SMILES Cc1nnc(o1)-c1ccc(Nc2cc(C)c3ncn(CC4CC4)c3n2)nc1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553763
(CHEMBL4785208)Show SMILES Cc1cc(Nc2ccc(cn2)-n2ccnc2)nc2n(CC3CC3)cnc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553754
(CHEMBL4746482)Show SMILES CN1C(=O)COc2cc(Nc3cc(c4ncn(CC5CC5)c4n3)C(F)(F)F)cnc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50076285
(1-Acetyl-piperidine-4-carboxylic acid (2-benzo[1,3...)Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCc1ccc2OCOc2c1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1 Show InChI InChI=1S/C35H41ClN4O6/c1-24(41)39-16-13-27(14-17-39)35(44)40(15-12-26-10-11-32-33(19-26)46-23-45-32)22-31(42)30(18-25-6-3-2-4-7-25)38-34(43)21-37-29-9-5-8-28(36)20-29/h2-11,19-20,27,30-31,37,42H,12-18,21-23H2,1H3,(H,38,43)/t30-,31-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibitory activity against Plasmepsin 2 |
J Med Chem 42: 1428-40 (1999)
Article DOI: 10.1021/jm980641t
BindingDB Entry DOI: 10.7270/Q2MS3RZX |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Plasmepsin II
(Plasmodium falciparum) | BDBM50076294
(1-Acetyl-piperidine-4-carboxylic acid (2-benzo[1,3...)Show SMILES CC(=O)N1CCC(CC1)C(=O)N(CCc1ccc2OCOc2c1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(Cl)c1 Show InChI InChI=1S/C35H40ClN3O7/c1-24(40)38-16-13-27(14-17-38)35(43)39(15-12-26-10-11-32-33(19-26)46-23-45-32)21-31(41)30(18-25-6-3-2-4-7-25)37-34(42)22-44-29-9-5-8-28(36)20-29/h2-11,19-20,27,30-31,41H,12-18,21-23H2,1H3,(H,37,42)/t30-,31-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibitory activity against Plasmepsin 2 |
J Med Chem 42: 1428-40 (1999)
Article DOI: 10.1021/jm980641t
BindingDB Entry DOI: 10.7270/Q2MS3RZX |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553760
(CHEMBL4757188)Show SMILES FC(F)(F)c1cc(Nc2ccc(nc2)-n2cnc(Cl)c2)nc2n(cnc12)C1CC1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553753
(CHEMBL4799496)Show SMILES CN1C(=O)COc2cc(Nc3cc(C)c4ncn(CC5CC5)c4n3)cnc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50076287
(1-Methyl-piperidine-4-carboxylic acid [(2S,3S)-3-(...)Show SMILES COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C(=O)C2CCN(C)CC2)cc1 Show InChI InChI=1S/C42H51N3O7/c1-44-22-20-33(21-23-44)42(48)45(24-19-30-15-17-35(49-2)18-16-30)28-37(46)36(25-31-11-7-5-8-12-31)43-41(47)34-26-38(50-3)40(39(27-34)51-4)52-29-32-13-9-6-10-14-32/h5-18,26-27,33,36-37,46H,19-25,28-29H2,1-4H3,(H,43,47)/t36-,37-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibitory activity against Plasmepsin 2 |
J Med Chem 42: 1428-40 (1999)
Article DOI: 10.1021/jm980641t
BindingDB Entry DOI: 10.7270/Q2MS3RZX |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Cathepsin D
(Homo sapiens (Human)) | BDBM50076293
(1-Acetyl-piperidine-4-carboxylic acid (2-benzo[1,3...)Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CCc1ccc2OCOc2c1)C(=O)C1CCN(CC1)C(C)=O Show InChI InChI=1S/C43H49N3O9/c1-29(47)45-20-17-33(18-21-45)43(50)46(19-16-31-14-15-37-38(23-31)55-28-54-37)26-36(48)35(22-30-10-6-4-7-11-30)44-42(49)34-24-39(51-2)41(40(25-34)52-3)53-27-32-12-8-5-9-13-32/h4-15,23-25,33,35-36,48H,16-22,26-28H2,1-3H3,(H,44,49)/t35-,36-/m0/s1 | 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
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibitory activity against human liver cathepsin D |
J Med Chem 42: 1428-40 (1999)
Article DOI: 10.1021/jm980641t
BindingDB Entry DOI: 10.7270/Q2MS3RZX |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM8019
(2-(3-chlorophenoxy)-N-[(2S,3S)-3-hydroxy-4-{N-[2-(...)Show SMILES COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc2cccc(Cl)c2)C(=O)C2CCNCC2)cc1 |r| Show InChI InChI=1S/C33H40ClN3O5/c1-41-28-12-10-24(11-13-28)16-19-37(33(40)26-14-17-35-18-15-26)22-31(38)30(20-25-6-3-2-4-7-25)36-32(39)23-42-29-9-5-8-27(34)21-29/h2-13,21,26,30-31,35,38H,14-20,22-23H2,1H3,(H,36,39)/t30-,31-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibitory activity against Plasmepsin 2 |
J Med Chem 42: 1428-40 (1999)
Article DOI: 10.1021/jm980641t
BindingDB Entry DOI: 10.7270/Q2MS3RZX |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50076293
(1-Acetyl-piperidine-4-carboxylic acid (2-benzo[1,3...)Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CCc1ccc2OCOc2c1)C(=O)C1CCN(CC1)C(C)=O Show InChI InChI=1S/C43H49N3O9/c1-29(47)45-20-17-33(18-21-45)43(50)46(19-16-31-14-15-37-38(23-31)55-28-54-37)26-36(48)35(22-30-10-6-4-7-11-30)44-42(49)34-24-39(51-2)41(40(25-34)52-3)53-27-32-12-8-5-9-13-32/h4-15,23-25,33,35-36,48H,16-22,26-28H2,1-3H3,(H,44,49)/t35-,36-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibitory activity against Plasmepsin 2 |
J Med Chem 42: 1428-40 (1999)
Article DOI: 10.1021/jm980641t
BindingDB Entry DOI: 10.7270/Q2MS3RZX |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Cathepsin D
(Homo sapiens (Human)) | BDBM50076291
(1-Methyl-piperidine-4-carboxylic acid (2-benzo[1,3...)Show SMILES CN1CCC(CC1)C(=O)N(CCc1ccc2OCOc2c1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(Cl)c1 Show InChI InChI=1S/C34H40ClN3O6/c1-37-15-13-26(14-16-37)34(41)38(17-12-25-10-11-31-32(19-25)44-23-43-31)21-30(39)29(18-24-6-3-2-4-7-24)36-33(40)22-42-28-9-5-8-27(35)20-28/h2-11,19-20,26,29-30,39H,12-18,21-23H2,1H3,(H,36,40)/t29-,30-/m0/s1 | 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
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibitory activity against human liver cathepsin D |
J Med Chem 42: 1428-40 (1999)
Article DOI: 10.1021/jm980641t
BindingDB Entry DOI: 10.7270/Q2MS3RZX |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM400240
(7-((1-(Cyclopropylmethyl)-5-fluoro-4-methyl-1H-ben...)Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4c(C)c3F)cnc12 Show InChI InChI=1S/C20H20FN5O2/c1-11-18(21)14(6-15-19(11)23-10-26(15)8-12-3-4-12)24-13-5-16-20(22-7-13)25(2)17(27)9-28-16/h5-7,10,12,24H,3-4,8-9H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553759
(CHEMBL4760677)Show SMILES Cc1cc(Nc2ccc(cn2)-c2ccncc2)nc2n(cnc12)C1CC1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50526866
(CHEMBL4581355)Show SMILES Cc1c(F)c(Nc2ccc(cn2)-c2cn(C)cn2)cc2n(CC3CC3)cnc12 Show InChI InChI=1S/C21H21FN6/c1-13-20(22)16(7-18-21(13)25-12-28(18)9-14-3-4-14)26-19-6-5-15(8-23-19)17-10-27(2)11-24-17/h5-8,10-12,14H,3-4,9H2,1-2H3,(H,23,26) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553765
(CHEMBL4754539)Show SMILES Cc1c(F)c(Nc2ccc(nc2)-n2ccnc2)nc2n(CC3CC3)cnc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50076288
(CHEMBL284955 | Piperidine-4-carboxylic acid [(2S,3...)Show SMILES COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C(=O)C2CCNCC2)cc1 Show InChI InChI=1S/C41H49N3O7/c1-48-34-16-14-29(15-17-34)20-23-44(41(47)32-18-21-42-22-19-32)27-36(45)35(24-30-10-6-4-7-11-30)43-40(46)33-25-37(49-2)39(38(26-33)50-3)51-28-31-12-8-5-9-13-31/h4-17,25-26,32,35-36,42,45H,18-24,27-28H2,1-3H3,(H,43,46)/t35-,36-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibitory activity against Plasmepsin 2 |
J Med Chem 42: 1428-40 (1999)
Article DOI: 10.1021/jm980641t
BindingDB Entry DOI: 10.7270/Q2MS3RZX |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Cathepsin D
(Homo sapiens (Human)) | BDBM50076292
(1-Methyl-piperidine-4-carboxylic acid {(2S,3S)-3-[...)Show SMILES COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc2cccc(Cl)c2)C(=O)C2CCN(C)CC2)cc1 Show InChI InChI=1S/C34H42ClN3O5/c1-37-18-16-27(17-19-37)34(41)38(20-15-25-11-13-29(42-2)14-12-25)23-32(39)31(21-26-7-4-3-5-8-26)36-33(40)24-43-30-10-6-9-28(35)22-30/h3-14,22,27,31-32,39H,15-21,23-24H2,1-2H3,(H,36,40)/t31-,32-/m0/s1 | 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
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibitory activity against human liver cathepsin D |
J Med Chem 42: 1428-40 (1999)
Article DOI: 10.1021/jm980641t
BindingDB Entry DOI: 10.7270/Q2MS3RZX |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553747
(CHEMBL4753738)Show SMILES CN1C(=O)C(F)(F)Oc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553749
(CHEMBL4761336)Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ncc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553758
(CHEMBL4800521)Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4cc3F)cnc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553756
(CHEMBL4785991)Show SMILES CN1C(=O)COc2cc(Nc3nc(C)c4ncn(CC5CC5)c4n3)cnc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM400242
(N-(6-(1H-Imidazol-1-yl)pyridin-3-yl)-3-(cyclopropy...)Show SMILES Cc1cc(Nc2ccc(nc2)-n2ccnc2)nc2n(CC3CC3)cnc12 Show InChI InChI=1S/C19H19N7/c1-13-8-16(24-19-18(13)22-12-26(19)10-14-2-3-14)23-15-4-5-17(21-9-15)25-7-6-20-11-25/h4-9,11-12,14H,2-3,10H2,1H3,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50076286
(CHEMBL34051 | N-(2-Benzo[1,3]dioxol-5-yl-ethyl)-N-...)Show SMILES O[C@@H](CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(Cl)c1 Show InChI InChI=1S/C38H36ClN3O8/c39-27-9-6-10-28(21-27)48-23-35(44)40-31(19-25-7-2-1-3-8-25)32(43)22-41(17-15-26-13-14-33-34(20-26)50-24-49-33)36(45)16-18-42-37(46)29-11-4-5-12-30(29)38(42)47/h1-14,20-21,31-32,43H,15-19,22-24H2,(H,40,44)/t31-,32-/m0/s1 | 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
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibitory activity against human liver cathepsin D |
J Med Chem 42: 1428-40 (1999)
Article DOI: 10.1021/jm980641t
BindingDB Entry DOI: 10.7270/Q2MS3RZX |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553745
(CHEMBL4785872)Show SMILES CN1C(=O)CCc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553755
(CHEMBL4794600)Show SMILES CN1C(=O)COc2cc(Nc3ncc4ncn(CC5CC5)c4n3)cnc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553746
(CHEMBL4764668)Show SMILES CC1Oc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ccc2N(C)C1=O | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553741
(CHEMBL4748984)Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553752
(CHEMBL4796770)Show SMILES CN1C(=O)COc2cc(Nc3ccc4ncn(CC5CC5)c4n3)cnc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50250631
(CHEMBL4093489)Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14| Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [33P]-S1P from human S1P4 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method |
J Med Chem 60: 9508-9530 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00785
BindingDB Entry DOI: 10.7270/Q2J968SK |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553750
(CHEMBL4761610)Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4cn3)cnc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553742
(CHEMBL4759403) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553748
(CHEMBL4794167)Show SMILES CN1C(=O)COc2nc(Nc3cc4n(CC5CC5)cnc4cn3)ccc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553751
(CHEMBL4759785)Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4c(C)n3)cnc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50076287
(1-Methyl-piperidine-4-carboxylic acid [(2S,3S)-3-(...)Show SMILES COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C(=O)C2CCN(C)CC2)cc1 Show InChI InChI=1S/C42H51N3O7/c1-44-22-20-33(21-23-44)42(48)45(24-19-30-15-17-35(49-2)18-16-30)28-37(46)36(25-31-11-7-5-8-12-31)43-41(47)34-26-38(50-3)40(39(27-34)51-4)52-29-32-13-9-6-10-14-32/h5-18,26-27,33,36-37,46H,19-25,28-29H2,1-4H3,(H,43,47)/t36-,37-/m0/s1 | 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
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibitory activity against human liver cathepsin D |
J Med Chem 42: 1428-40 (1999)
Article DOI: 10.1021/jm980641t
BindingDB Entry DOI: 10.7270/Q2MS3RZX |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553744
(CHEMBL4741416) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM8019
(2-(3-chlorophenoxy)-N-[(2S,3S)-3-hydroxy-4-{N-[2-(...)Show SMILES COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc2cccc(Cl)c2)C(=O)C2CCNCC2)cc1 |r| Show InChI InChI=1S/C33H40ClN3O5/c1-41-28-12-10-24(11-13-28)16-19-37(33(40)26-14-17-35-18-15-26)22-31(38)30(20-25-6-3-2-4-7-25)36-32(39)23-42-29-9-5-8-27(34)21-29/h2-13,21,26,30-31,35,38H,14-20,22-23H2,1H3,(H,36,39)/t30-,31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibitory activity against human liver cathepsin D |
J Med Chem 42: 1428-40 (1999)
Article DOI: 10.1021/jm980641t
BindingDB Entry DOI: 10.7270/Q2MS3RZX |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553743
(CHEMBL4760815)Show SMILES CN1C(=O)COc2ccc(Nc3cc4n(CC5CC5)cnc4cn3)cc12 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50076288
(CHEMBL284955 | Piperidine-4-carboxylic acid [(2S,3...)Show SMILES COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C(=O)C2CCNCC2)cc1 Show InChI InChI=1S/C41H49N3O7/c1-48-34-16-14-29(15-17-34)20-23-44(41(47)32-18-21-42-22-19-32)27-36(45)35(24-30-10-6-4-7-11-30)43-40(46)33-25-37(49-2)39(38(26-33)50-3)51-28-31-12-8-5-9-13-31/h4-17,25-26,32,35-36,42,45H,18-24,27-28H2,1-3H3,(H,43,46)/t35-,36-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibitory activity against human liver cathepsin D |
J Med Chem 42: 1428-40 (1999)
Article DOI: 10.1021/jm980641t
BindingDB Entry DOI: 10.7270/Q2MS3RZX |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50553734
(CHEMBL4778552) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127536
BindingDB Entry DOI: 10.7270/Q2MW2MSP |
More data for this
Ligand-Target Pair | |
Search and Browse
