Found 107 hits with Last Name = 'belonga' and Initial = 'kl' 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/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50048831
(CHEMBL50763 | [3-(5-Cyclopropyl-[1,2,4]oxadiazol-3...)Show SMILES Fc1cccc-2c1N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H19FN6O3/c21-13-2-1-3-14-17(13)26(20(28)25-6-8-29-9-7-25)10-15-16(22-11-27(14)15)18-23-19(30-24-18)12-4-5-12/h1-3,11-12H,4-10H2 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]Flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50048825
(CHEMBL48403 | [7-Chloro-3-(5-cyclopropyl-[1,2,4]ox...)Show SMILES Clc1ccc-2c(c1)N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H19ClN6O3/c21-13-3-4-14-15(9-13)26(20(28)25-5-7-29-8-6-25)10-16-17(22-11-27(14)16)18-23-19(30-24-18)12-1-2-12/h3-4,9,11-12H,1-2,5-8,10H2 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50048828
(CHEMBL290036 | [3-(5-Cyclopropyl-[1,2,4]oxadiazol-...)Show SMILES Fc1ccc-2c(c1)N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H19FN6O3/c21-13-3-4-14-15(9-13)26(20(28)25-5-7-29-8-6-25)10-16-17(22-11-27(14)16)18-23-19(30-24-18)12-1-2-12/h3-4,9,11-12H,1-2,5-8,10H2 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]Flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50040729
(CHEMBL49888 | [3-(5-Cyclopropyl-[1,2,4]oxadiazol-3...)Show SMILES O=C(N1Cc2c(ncn2-c2ccccc12)-c1noc(n1)C1CC1)c1ccccc1 Show InChI InChI=1S/C22H17N5O2/c28-22(15-6-2-1-3-7-15)26-12-18-19(20-24-21(29-25-20)14-10-11-14)23-13-27(18)17-9-5-4-8-16(17)26/h1-9,13-14H,10-12H2 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]Flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50048831
(CHEMBL50763 | [3-(5-Cyclopropyl-[1,2,4]oxadiazol-3...)Show SMILES Fc1cccc-2c1N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H19FN6O3/c21-13-2-1-3-14-17(13)26(20(28)25-6-8-29-9-7-25)10-15-16(22-11-27(14)15)18-23-19(30-24-18)12-4-5-12/h1-3,11-12H,4-10H2 | PDB
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| Article
PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50048828
(CHEMBL290036 | [3-(5-Cyclopropyl-[1,2,4]oxadiazol-...)Show SMILES Fc1ccc-2c(c1)N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H19FN6O3/c21-13-3-4-14-15(9-13)26(20(28)25-5-7-29-8-6-25)10-16-17(22-11-27(14)16)18-23-19(30-24-18)12-1-2-12/h3-4,9,11-12H,1-2,5-8,10H2 | PDB
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| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50048855
(3-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-4H-imidazo...)Show SMILES CN(C)C(=O)N1Cc2c(ncn2-c2ccccc12)-c1noc(n1)C1CC1 Show InChI InChI=1S/C18H18N6O2/c1-22(2)18(25)23-9-14-15(16-20-17(26-21-16)11-7-8-11)19-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,7-9H2,1-2H3 | PDB
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50048825
(CHEMBL48403 | [7-Chloro-3-(5-cyclopropyl-[1,2,4]ox...)Show SMILES Clc1ccc-2c(c1)N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H19ClN6O3/c21-13-3-4-14-15(9-13)26(20(28)25-5-7-29-8-6-25)10-16-17(22-11-27(14)16)18-23-19(30-24-18)12-1-2-12/h3-4,9,11-12H,1-2,5-8,10H2 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards [3H]Fnz in alpha-1-beta-2-gamma-2 subtype was measured |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50040722
(1-[3-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-4H-imid...)Show SMILES CC(=O)N1Cc2c(ncn2-c2ccccc12)-c1noc(n1)C1CC1 Show InChI InChI=1S/C17H15N5O2/c1-10(23)21-8-14-15(16-19-17(24-20-16)11-6-7-11)18-9-22(14)13-5-3-2-4-12(13)21/h2-5,9,11H,6-8H2,1H3 | PDB
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50048837
(3-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-5-isopropy...)Show SMILES CC(C)n1c2ccccc2n2cnc(-c3noc(n3)C3CC3)c2c1=O Show InChI InChI=1S/C18H17N5O2/c1-10(2)23-13-6-4-3-5-12(13)22-9-19-14(15(22)18(23)24)16-20-17(25-21-16)11-7-8-11/h3-6,9-11H,7-8H2,1-2H3 | PDB
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PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]Flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50048855
(3-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-4H-imidazo...)Show SMILES CN(C)C(=O)N1Cc2c(ncn2-c2ccccc12)-c1noc(n1)C1CC1 Show InChI InChI=1S/C18H18N6O2/c1-22(2)18(25)23-9-14-15(16-20-17(26-21-16)11-7-8-11)19-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,7-9H2,1-2H3 | PDB
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| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50048827
(3-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-4H-imidazo...)Show SMILES CCNC(=O)N1Cc2c(ncn2-c2ccccc12)-c1noc(n1)C1CC1 Show InChI InChI=1S/C18H18N6O2/c1-2-19-18(25)23-9-14-15(16-21-17(26-22-16)11-7-8-11)20-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,2,7-9H2,1H3,(H,19,25) | PDB
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PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50048833
(CHEMBL48211 | [3-(5-Cyclopropyl-[1,2,4]oxadiazol-3...)Show SMILES Cc1cccc-2c1N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C21H22N6O3/c1-13-3-2-4-15-18(13)26(21(28)25-7-9-29-10-8-25)11-16-17(22-12-27(15)16)19-23-20(30-24-19)14-5-6-14/h2-4,12,14H,5-11H2,1H3 | PDB
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
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| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]Flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM26267
(RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...)Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-] Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3 | PDB
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| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]Ro-154513 from GABA-A receptor alpha-6-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50048837
(3-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-5-isopropy...)Show SMILES CC(C)n1c2ccccc2n2cnc(-c3noc(n3)C3CC3)c2c1=O Show InChI InChI=1S/C18H17N5O2/c1-10(2)23-13-6-4-3-5-12(13)22-9-19-14(15(22)18(23)24)16-20-17(25-21-16)11-7-8-11/h3-6,9-11H,7-8H2,1-2H3 | PDB
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| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50000766
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50000766
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]Flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50048831
(CHEMBL50763 | [3-(5-Cyclopropyl-[1,2,4]oxadiazol-3...)Show SMILES Fc1cccc-2c1N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C20H19FN6O3/c21-13-2-1-3-14-17(13)26(20(28)25-6-8-29-9-7-25)10-15-16(22-11-27(14)15)18-23-19(30-24-18)12-4-5-12/h1-3,11-12H,4-10H2 | PDB
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| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Ro-15-4513 from GABA-A receptor alpha-6-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076372
(1-[(S)-2-Oxo-1-pentafluorophenylmethyl-2-(4-pyridi...)Show SMILES Fc1c(F)c(F)c(C[C@H](NC(=O)Nc2nnc(S)s2)C(=O)N2CCN(CC2)c2ccccn2)c(F)c1F Show InChI InChI=1S/C21H18F5N7O2S2/c22-13-10(14(23)16(25)17(26)15(13)24)9-11(28-19(35)29-20-30-31-21(36)37-20)18(34)33-7-5-32(6-8-33)12-3-1-2-4-27-12/h1-4,11H,5-9H2,(H,31,36)(H2,28,29,30,35)/t11-/m0/s1 | PDB
MMDB
Reactome pathway
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UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-3 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50048827
(3-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-4H-imidazo...)Show SMILES CCNC(=O)N1Cc2c(ncn2-c2ccccc12)-c1noc(n1)C1CC1 Show InChI InChI=1S/C18H18N6O2/c1-2-19-18(25)23-9-14-15(16-21-17(26-22-16)11-7-8-11)20-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,2,7-9H2,1H3,(H,19,25) | PDB
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PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM26267
(RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...)Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-] Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3 | PDB
UniProtKB/SwissProt
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MCE
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PDB
UniChem
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| PDB
Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]Flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076341
((S)-N-Methyl-3-pentafluorophenyl-2-[3-(5-thioxo-4,...)Show SMILES CNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C13H10F5N5O2S2/c1-19-10(24)4(20-11(25)21-12-22-23-13(26)27-12)2-3-5(14)7(16)9(18)8(17)6(3)15/h4H,2H2,1H3,(H,19,24)(H,23,26)(H2,20,21,22,25)/t4-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| MMDB
PDB
Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-3 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50048833
(CHEMBL48211 | [3-(5-Cyclopropyl-[1,2,4]oxadiazol-3...)Show SMILES Cc1cccc-2c1N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C21H22N6O3/c1-13-3-2-4-15-18(13)26(21(28)25-7-9-29-10-8-25)11-16-17(22-12-27(15)16)19-23-20(30-24-19)14-5-6-14/h2-4,12,14H,5-11H2,1H3 | PDB
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PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]flunitrazepam from GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076338
((S)-3-(4-Fluoro-phenyl)-N-methyl-2-[3-(5-thioxo-4,...)Show SMILES CNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C13H14FN5O2S2/c1-15-10(20)9(6-7-2-4-8(14)5-3-7)16-11(21)17-12-18-19-13(22)23-12/h2-5,9H,6H2,1H3,(H,15,20)(H,19,22)(H2,16,17,18,21)/t9-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-3 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50040722
(1-[3-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-4H-imid...)Show SMILES CC(=O)N1Cc2c(ncn2-c2ccccc12)-c1noc(n1)C1CC1 Show InChI InChI=1S/C17H15N5O2/c1-10(23)21-8-14-15(16-19-17(24-20-16)11-6-7-11)18-9-22(14)13-5-3-2-4-12(13)21/h2-5,9,11H,6-8H2,1H3 | PDB
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| 124 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]Ro-154513 from GABA-A receptor alpha-6-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076367
(1-[(S)-1-(4-Fluoro-benzyl)-2-oxo-2-(4-pyridin-2-yl...)Show SMILES Fc1ccc(C[C@H](NC(=O)Nc2nnc(S)s2)C(=O)N2CCN(CC2)c2ccccn2)cc1 Show InChI InChI=1S/C21H22FN7O2S2/c22-15-6-4-14(5-7-15)13-16(24-19(31)25-20-26-27-21(32)33-20)18(30)29-11-9-28(10-12-29)17-3-1-2-8-23-17/h1-8,16H,9-13H2,(H,27,32)(H2,24,25,26,31)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-3 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076357
((S)-3-Phenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thi...)Show InChI InChI=1S/C13H14N4O3S2/c1-20-10(18)9(7-8-5-3-2-4-6-8)14-11(19)15-12-16-17-13(21)22-12/h2-6,9H,7H2,1H3,(H,17,21)(H2,14,15,16,19)/t9-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| Article
PubMed
| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-3 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076366
((S)-N-Methyl-3-(4-nitro-phenyl)-2-[3-(5-thioxo-4,5...)Show SMILES CNC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)Nc1n[n-]c(=[SH+])s1 Show InChI InChI=1S/C13H14N6O4S2/c1-14-10(20)9(6-7-2-4-8(5-3-7)19(22)23)15-11(21)16-12-17-18-13(24)25-12/h2-5,9H,6H2,1H3,(H4,14,15,16,17,18,20,21,24) | PDB
MMDB
Reactome pathway
KEGG
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PC sid
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PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-3 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076374
(1-((S)-1-Benzyl-2-oxo-2-thiomorpholin-4-yl-ethyl)-...)Show SMILES Sc1nnc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCSCC2)s1 Show InChI InChI=1S/C16H19N5O2S3/c22-13(21-6-8-25-9-7-21)12(10-11-4-2-1-3-5-11)17-14(23)18-15-19-20-16(24)26-15/h1-5,12H,6-10H2,(H,20,24)(H2,17,18,19,23)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
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PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-3 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076339
((S)-3-(4-Hydroxy-phenyl)-N-methyl-2-[3-(5-thioxo-4...)Show SMILES CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C13H15N5O3S2/c1-14-10(20)9(6-7-2-4-8(19)5-3-7)15-11(21)16-12-17-18-13(22)23-12/h2-5,9,19H,6H2,1H3,(H,14,20)(H,18,22)(H2,15,16,17,21)/t9-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Patents
Similars
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-3 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076336
(1-[(S)-1-Benzyl-2-oxo-2-(4-pyrimidin-2-yl-piperazi...)Show SMILES Sc1nnc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)c2ncccn2)s1 Show InChI InChI=1S/C20H22N8O2S2/c29-16(27-9-11-28(12-10-27)17-21-7-4-8-22-17)15(13-14-5-2-1-3-6-14)23-18(30)24-19-25-26-20(31)32-19/h1-8,15H,9-13H2,(H,26,31)(H2,23,24,25,30)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-3 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076351
((S)-3-(4-Methoxy-phenyl)-N-methyl-2-[3-(5-thioxo-4...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C14H17N5O3S2/c1-15-11(20)10(7-8-3-5-9(22-2)6-4-8)16-12(21)17-13-18-19-14(23)24-13/h3-6,10H,7H2,1-2H3,(H,15,20)(H,19,23)(H2,16,17,18,21)/t10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-3 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076334
((S)-N-(3,4-Dimethoxy-benzyl)-3-phenyl-2-[3-(5-thio...)Show SMILES COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)Nc2nnc(S)s2)cc1OC Show InChI InChI=1S/C21H23N5O4S2/c1-29-16-9-8-14(11-17(16)30-2)12-22-18(27)15(10-13-6-4-3-5-7-13)23-19(28)24-20-25-26-21(31)32-20/h3-9,11,15H,10,12H2,1-2H3,(H,22,27)(H,26,31)(H2,23,24,25,28)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| Article
PubMed
| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-3 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076382
((S)-N-Benzyl-3-phenyl-2-[3-(5-thioxo-4,5-dihydro-[...)Show SMILES Sc1nnc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)s1 Show InChI InChI=1S/C19H19N5O2S2/c25-16(20-12-14-9-5-2-6-10-14)15(11-13-7-3-1-4-8-13)21-17(26)22-18-23-24-19(27)28-18/h1-10,15H,11-12H2,(H,20,25)(H,24,27)(H2,21,22,23,26)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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PC sid
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Similars
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PubMed
| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-3 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076342
(1-[(S)-1-Benzyl-2-oxo-2-(4-pyridin-2-yl-piperazin-...)Show SMILES Sc1nnc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)c2ccccn2)s1 Show InChI InChI=1S/C21H23N7O2S2/c29-18(28-12-10-27(11-13-28)17-8-4-5-9-22-17)16(14-15-6-2-1-3-7-15)23-19(30)24-20-25-26-21(31)32-20/h1-9,16H,10-14H2,(H,26,31)(H2,23,24,25,30)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-3 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50048837
(3-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-5-isopropy...)Show SMILES CC(C)n1c2ccccc2n2cnc(-c3noc(n3)C3CC3)c2c1=O Show InChI InChI=1S/C18H17N5O2/c1-10(2)23-13-6-4-3-5-12(13)22-9-19-14(15(22)18(23)24)16-20-17(25-21-16)11-7-8-11/h3-6,9-11H,7-8H2,1-2H3 | PDB
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| Article
PubMed
| 603 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Ro-15-4513 from GABA-A receptor alpha-6-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076346
(1-((S)-1-Benzyl-2-oxo-2-pyrrolidin-1-yl-ethyl)-3-(...)Show SMILES Sc1nnc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)s1 Show InChI InChI=1S/C16H19N5O2S2/c22-13(21-8-4-5-9-21)12(10-11-6-2-1-3-7-11)17-14(23)18-15-19-20-16(24)25-15/h1-3,6-7,12H,4-5,8-10H2,(H,20,24)(H2,17,18,19,23)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-3 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50241372
((S)-1-(1-(methylamino)-1-oxo-3-phenylpropan-2-yl)-...)Show InChI InChI=1S/C13H15N5O2S2/c1-14-10(19)9(7-8-5-3-2-4-6-8)15-11(20)16-12-17-18-13(21)22-12/h2-6,9H,7H2,1H3,(H,14,19)(H,18,21)(H2,15,16,17,20)/t9-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-3 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076372
(1-[(S)-2-Oxo-1-pentafluorophenylmethyl-2-(4-pyridi...)Show SMILES Fc1c(F)c(F)c(C[C@H](NC(=O)Nc2nnc(S)s2)C(=O)N2CCN(CC2)c2ccccn2)c(F)c1F Show InChI InChI=1S/C21H18F5N7O2S2/c22-13-10(14(23)16(25)17(26)15(13)24)9-11(28-19(35)29-20-30-31-21(36)37-20)18(34)33-7-5-32(6-8-33)12-3-1-2-4-27-12/h1-4,11H,5-9H2,(H,31,36)(H2,28,29,30,35)/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-1 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076348
((S)-N-Cyclohexylmethyl-3-phenyl-2-[3-(5-thioxo-4,5...)Show SMILES Sc1nnc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC2CCCCC2)s1 Show InChI InChI=1S/C19H25N5O2S2/c25-16(20-12-14-9-5-2-6-10-14)15(11-13-7-3-1-4-8-13)21-17(26)22-18-23-24-19(27)28-18/h1,3-4,7-8,14-15H,2,5-6,9-12H2,(H,20,25)(H,24,27)(H2,21,22,23,26)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-3 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076354
(1-[(S)-1-Benzyl-2-(4-benzyl-piperazin-1-yl)-2-oxo-...)Show SMILES Sc1nnc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)s1 Show InChI InChI=1S/C23H26N6O2S2/c30-20(29-13-11-28(12-14-29)16-18-9-5-2-6-10-18)19(15-17-7-3-1-4-8-17)24-21(31)25-22-26-27-23(32)33-22/h1-10,19H,11-16H2,(H,27,32)(H2,24,25,26,31)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-3 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076364
(1-((S)-1-Benzyl-2-morpholin-4-yl-2-oxo-ethyl)-3-(5...)Show SMILES Sc1nnc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)s1 Show InChI InChI=1S/C16H19N5O3S2/c22-13(21-6-8-24-9-7-21)12(10-11-4-2-1-3-5-11)17-14(23)18-15-19-20-16(25)26-15/h1-5,12H,6-10H2,(H,20,25)(H2,17,18,19,23)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-3 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076363
(1-{(S)-1-Benzyl-2-[4-(4-methoxy-phenyl)-piperazin-...)Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C23H26N6O3S2/c1-32-18-9-7-17(8-10-18)28-11-13-29(14-12-28)20(30)19(15-16-5-3-2-4-6-16)24-21(31)25-22-26-27-23(33)34-22/h2-10,19H,11-15H2,1H3,(H,27,33)(H2,24,25,26,31)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-3 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2
(Homo sapiens (Human)) | BDBM50040729
(CHEMBL49888 | [3-(5-Cyclopropyl-[1,2,4]oxadiazol-3...)Show SMILES O=C(N1Cc2c(ncn2-c2ccccc12)-c1noc(n1)C1CC1)c1ccccc1 Show InChI InChI=1S/C22H17N5O2/c28-22(15-6-2-1-3-7-15)26-12-18-19(20-24-21(29-25-20)14-10-11-14)23-13-27(18)17-9-5-4-8-16(17)26/h1-9,13-14H,10-12H2 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Ro-15-4513 from GABA-A receptor alpha-6-beta-2-gamma-2 subunits expressed in Sf9 cells |
J Med Chem 39: 158-75 (1996)
Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076358
((S)-N-Isopropyl-3-phenyl-2-[3-(5-thioxo-4,5-dihydr...)Show SMILES CC(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C15H19N5O2S2/c1-9(2)16-12(21)11(8-10-6-4-3-5-7-10)17-13(22)18-14-19-20-15(23)24-14/h3-7,9,11H,8H2,1-2H3,(H,16,21)(H,20,23)(H2,17,18,19,22)/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-3 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076342
(1-[(S)-1-Benzyl-2-oxo-2-(4-pyridin-2-yl-piperazin-...)Show SMILES Sc1nnc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)c2ccccn2)s1 Show InChI InChI=1S/C21H23N7O2S2/c29-18(28-12-10-27(11-13-28)17-8-4-5-9-22-17)16(14-15-6-2-1-3-7-15)23-19(30)24-20-25-26-21(31)32-20/h1-9,16H,10-14H2,(H,26,31)(H2,23,24,25,30)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-1 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076367
(1-[(S)-1-(4-Fluoro-benzyl)-2-oxo-2-(4-pyridin-2-yl...)Show SMILES Fc1ccc(C[C@H](NC(=O)Nc2nnc(S)s2)C(=O)N2CCN(CC2)c2ccccn2)cc1 Show InChI InChI=1S/C21H22FN7O2S2/c22-15-6-4-14(5-7-15)13-16(24-19(31)25-20-26-27-21(32)33-20)18(30)29-11-9-28(10-12-29)17-3-1-2-8-23-17/h1-8,16H,9-13H2,(H,27,32)(H2,24,25,26,31)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-1 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50241378
((S)-1-(3-(benzyloxy)-1-(methylamino)-1-oxopropan-2...)Show InChI InChI=1S/C14H17N5O3S2/c1-15-11(20)10(8-22-7-9-5-3-2-4-6-9)16-12(21)17-13-18-19-14(23)24-13/h2-6,10H,7-8H2,1H3,(H,15,20)(H,19,23)(H2,16,17,18,21)/t10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-3 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076370
((S)-N,N-Dimethyl-3-phenyl-2-[3-(5-thioxo-4,5-dihyd...)Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C14H17N5O2S2/c1-19(2)11(20)10(8-9-6-4-3-5-7-9)15-12(21)16-13-17-18-14(22)23-13/h3-7,10H,8H2,1-2H3,(H,18,22)(H2,15,16,17,21)/t10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-3 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50076341
((S)-N-Methyl-3-pentafluorophenyl-2-[3-(5-thioxo-4,...)Show SMILES CNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C13H10F5N5O2S2/c1-19-10(24)4(20-11(25)21-12-22-23-13(26)27-12)2-3-5(14)7(16)9(18)8(17)6(3)15/h4H,2H2,1H3,(H,19,24)(H,23,26)(H2,20,21,22,25)/t4-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn
Curated by ChEMBL
| Assay Description
Binding affinity for matrix metalloproteinase-1 |
J Med Chem 42: 1525-36 (1999)
Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4 |
More data for this
Ligand-Target Pair | |
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