Found 7 hits Enz. Inhib. hit(s) with all data for entry = 4642 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 |
|---|
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM22040
(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10| Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| Purchase
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 |
TBA
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 74: 3805-9 (1977)
Article DOI: 10.1073/pnas.74.9.3805
BindingDB Entry DOI: 10.7270/Q2Q23XR0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM22040
(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10| Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 74: 3805-9 (1977)
Article DOI: 10.1073/pnas.74.9.3805
BindingDB Entry DOI: 10.7270/Q2Q23XR0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM22040
(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10| Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
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 |
TBA
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 74: 3805-9 (1977)
Article DOI: 10.1073/pnas.74.9.3805
BindingDB Entry DOI: 10.7270/Q2Q23XR0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM50019213
(1,3-dihydro-7-nitro-5-(2-chlorophenyl)-2H-1,4.benz...)Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1 |t:11| Show InChI InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
DrugBank
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 74: 3805-9 (1977)
Article DOI: 10.1073/pnas.74.9.3805
BindingDB Entry DOI: 10.7270/Q2Q23XR0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM50019213
(1,3-dihydro-7-nitro-5-(2-chlorophenyl)-2H-1,4.benz...)Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1 |t:11| Show InChI InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
DrugBank
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 74: 3805-9 (1977)
Article DOI: 10.1073/pnas.74.9.3805
BindingDB Entry DOI: 10.7270/Q2Q23XR0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM50019213
(1,3-dihydro-7-nitro-5-(2-chlorophenyl)-2H-1,4.benz...)Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1 |t:11| Show InChI InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
DrugBank
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 74: 3805-9 (1977)
Article DOI: 10.1073/pnas.74.9.3805
BindingDB Entry DOI: 10.7270/Q2Q23XR0 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM22040
(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10| Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 74: 3805-9 (1977)
Article DOI: 10.1073/pnas.74.9.3805
BindingDB Entry DOI: 10.7270/Q2Q23XR0 |
More data for this
Ligand-Target Pair | |
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