Found 552 hits with Last Name = 'and' and Initial = 'ca' 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 |
|---|
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50001609
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)Show SMILES CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O Show InChI InChI=1S/C29H27NO4/c1-30(16-15-21-9-4-2-5-10-21)28(31)19-23-17-24(29(32)33)18-26-25(23)13-8-14-27(26)34-20-22-11-6-3-7-12-22/h2-14,17-18H,15-16,19-20H2,1H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Antagonistic activity of the compound against LTB4 receptor using guinea pig (GP) spleen cell membrane |
J Med Chem 35: 4253-5 (1992)
BindingDB Entry DOI: 10.7270/Q208648W |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50029703
(4-Isopropyl-6-methoxy-1,1-dioxo-2-(1-phenyl-1H-tet...)Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C19H19N5O4S2/c1-12(2)15-9-14(28-3)10-16-17(15)18(25)23(30(16,26)27)11-29-19-20-21-22-24(19)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.270 | n/a | n/a | n/a | n/a | n/a | 4.45E+4 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50029703
(4-Isopropyl-6-methoxy-1,1-dioxo-2-(1-phenyl-1H-tet...)Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C19H19N5O4S2/c1-12(2)15-9-14(28-3)10-16-17(15)18(25)23(30(16,26)27)11-29-19-20-21-22-24(19)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50282874
(4-Isopropyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...)Show SMILES CC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C18H17N5O3S2/c1-12(2)14-9-6-10-15-16(14)17(24)22(28(15,25)26)11-27-18-19-20-21-23(18)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.300 | n/a | n/a | n/a | n/a | n/a | 9.40E+4 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286327
(4,6-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(OC)c1 Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-13(27-2)15-14(9-12)29(24,25)21(16(15)23)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.600 | n/a | n/a | n/a | n/a | n/a | 4.90E+4 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50282873
(4-sec-Butyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...)Show SMILES CCC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C19H19N5O3S2/c1-3-13(2)15-10-7-11-16-17(15)18(25)23(29(16,26)27)12-28-19-20-21-22-24(19)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.600 | n/a | n/a | n/a | n/a | n/a | 9.40E+4 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286327
(4,6-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(OC)c1 Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-13(27-2)15-14(9-12)29(24,25)21(16(15)23)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50282868
(1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...)Show SMILES CCCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C18H17N5O3S2/c1-2-7-13-8-6-11-15-16(13)17(24)22(28(15,25)26)12-27-18-19-20-21-23(18)14-9-4-3-5-10-14/h3-6,8-11H,2,7,12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50282868
(1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...)Show SMILES CCCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C18H17N5O3S2/c1-2-7-13-8-6-11-15-16(13)17(24)22(28(15,25)26)12-27-18-19-20-21-23(18)14-9-4-3-5-10-14/h3-6,8-11H,2,7,12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.700 | n/a | n/a | n/a | n/a | n/a | 1.00E+5 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286330
(4,5-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)Show SMILES COc1ccc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c1OC Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-9-13-14(15(12)27-2)16(23)21(29(13,24)25)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2 | n/a | n/a | n/a | n/a | n/a | 5.40E+4 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50282866
(4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulf...)Show SMILES CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C17H15N5O3S2/c1-2-12-7-6-10-14-15(12)16(23)21(27(14,24)25)11-26-17-18-19-20-22(17)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2 | n/a | n/a | n/a | n/a | n/a | 6.30E+4 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286330
(4,5-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)Show SMILES COc1ccc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c1OC Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-9-13-14(15(12)27-2)16(23)21(29(13,24)25)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50001609
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)Show SMILES CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O Show InChI InChI=1S/C29H27NO4/c1-30(16-15-21-9-4-2-5-10-21)28(31)19-23-17-24(29(32)33)18-26-25(23)13-8-14-27(26)34-20-22-11-6-3-7-12-22/h2-14,17-18H,15-16,19-20H2,1H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Antagonistic activity of the compound against monkey neutrophil LTB4 receptor 2 min after an iv dose of 3 mg/kg . |
J Med Chem 35: 4253-5 (1992)
BindingDB Entry DOI: 10.7270/Q208648W |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50282878
(4-Methoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsu...)Show SMILES COc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C16H13N5O4S2/c1-25-12-8-5-9-13-14(12)15(22)20(27(13,23)24)10-26-16-17-18-19-21(16)11-6-3-2-4-7-11/h2-9H,10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 14 | n/a | n/a | n/a | n/a | n/a | 5.60E+3 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50286331
(4,7-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)Show SMILES COc1ccc(OC)c2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-9-13(27-2)15-14(12)16(23)21(29(15,24)25)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 15 | n/a | n/a | n/a | n/a | n/a | 1.10E+3 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50036479
(1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...)Show SMILES O=C1N(CSc2nnnn2-c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C15H11N5O3S2/c21-14-12-8-4-5-9-13(12)25(22,23)19(14)10-24-15-16-17-18-20(15)11-6-2-1-3-7-11/h1-9H,10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 15 | n/a | n/a | n/a | n/a | n/a | 5.60E+3 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50286327
(4,6-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(OC)c1 Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-13(27-2)15-14(9-12)29(24,25)21(16(15)23)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50286327
(4,6-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(OC)c1 Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-13(27-2)15-14(9-12)29(24,25)21(16(15)23)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 15 | n/a | n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50036479
(1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...)Show SMILES O=C1N(CSc2nnnn2-c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C15H11N5O3S2/c21-14-12-8-4-5-9-13(12)25(22,23)19(14)10-24-15-16-17-18-20(15)11-6-2-1-3-7-11/h1-9H,10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50282866
(4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulf...)Show SMILES CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C17H15N5O3S2/c1-2-12-7-6-10-14-15(12)16(23)21(27(14,24)25)11-26-17-18-19-20-22(17)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 20 | n/a | n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50282868
(1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...)Show SMILES CCCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C18H17N5O3S2/c1-2-7-13-8-6-11-15-16(13)17(24)22(28(15,25)26)12-27-18-19-20-21-23(18)14-9-4-3-5-10-14/h3-6,8-11H,2,7,12H2,1H3 | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 26 | n/a | n/a | n/a | n/a | n/a | 130 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50282868
(1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...)Show SMILES CCCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C18H17N5O3S2/c1-2-7-13-8-6-11-15-16(13)17(24)22(28(15,25)26)12-27-18-19-20-21-23(18)14-9-4-3-5-10-14/h3-6,8-11H,2,7,12H2,1H3 | PDB
MMDB
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| CHEMBL
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PC sid
UniChem
Similars
| Article
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50282871
(4-Methyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsul...)Show SMILES Cc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C16H13N5O3S2/c1-11-6-5-9-13-14(11)15(22)20(26(13,23)24)10-25-16-17-18-19-21(16)12-7-3-2-4-8-12/h2-9H,10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 32 | n/a | n/a | n/a | n/a | n/a | 3.20E+3 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50282874
(4-Isopropyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...)Show SMILES CC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C18H17N5O3S2/c1-12(2)14-9-6-10-15-16(14)17(24)22(28(15,25)26)11-27-18-19-20-21-23(18)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3 | PDB
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UniChem
Similars
| Article
| 39 | n/a | n/a | n/a | n/a | n/a | 140 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50282874
(4-Isopropyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...)Show SMILES CC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C18H17N5O3S2/c1-12(2)14-9-6-10-15-16(14)17(24)22(28(15,25)26)11-27-18-19-20-21-23(18)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3 | PDB
MMDB
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UniChem
Similars
| Article
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50282869
(4-(1-Ethyl-propyl)-1,1-dioxo-2-(1-phenyl-1H-tetraz...)Show SMILES CCC(CC)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C20H21N5O3S2/c1-3-14(4-2)16-11-8-12-17-18(16)19(26)24(30(17,27)28)13-29-20-21-22-23-25(20)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3 | PDB
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Reactome pathway
KEGG
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| CHEMBL
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UniChem
Similars
| Article
| 60 | n/a | n/a | n/a | n/a | n/a | 4.40E+3 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50036479
(1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...)Show SMILES O=C1N(CSc2nnnn2-c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C15H11N5O3S2/c21-14-12-8-4-5-9-13(12)25(22,23)19(14)10-24-15-16-17-18-20(15)11-6-2-1-3-7-11/h1-9H,10H2 | PDB
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UniChem
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| Article
| 62 | n/a | n/a | n/a | n/a | n/a | 240 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50282871
(4-Methyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsul...)Show SMILES Cc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C16H13N5O3S2/c1-11-6-5-9-13-14(11)15(22)20(26(13,23)24)10-25-16-17-18-19-21(16)12-7-3-2-4-8-12/h2-9H,10H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 74 | n/a | n/a | n/a | n/a | n/a | 280 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Carbapenem-hydrolyzing beta-lactamase KPC
() | BDBM50569703
(CHEMBL4851703)Show SMILES Oc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(Cl)cc1Cl | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113418
BindingDB Entry DOI: 10.7270/Q26977C2 |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50282878
(4-Methoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsu...)Show SMILES COc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C16H13N5O4S2/c1-25-12-8-5-9-13-14(12)15(22)20(27(13,23)24)10-26-16-17-18-19-21(16)11-6-3-2-4-7-11/h2-9H,10H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 400 | n/a | n/a | n/a | n/a | n/a | 210 | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Carbapenem-hydrolyzing beta-lactamase KPC
() | BDBM50569685
(CHEMBL4877631)Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1ccc(I)cc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113418
BindingDB Entry DOI: 10.7270/Q26977C2 |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50029703
(4-Isopropyl-6-methoxy-1,1-dioxo-2-(1-phenyl-1H-tet...)Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C19H19N5O4S2/c1-12(2)15-9-14(28-3)10-16-17(15)18(25)23(30(16,26)27)11-29-19-20-21-22-24(19)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50286330
(4,5-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...)Show SMILES COc1ccc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c1OC Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-9-13-14(15(12)27-2)16(23)21(29(13,24)25)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Carbapenem-hydrolyzing beta-lactamase KPC
() | BDBM50569681
(CHEMBL4867398)Show SMILES C(Oc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1ccccc1)c1ccccc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113418
BindingDB Entry DOI: 10.7270/Q26977C2 |
More data for this
Ligand-Target Pair | |
Carbapenem-hydrolyzing beta-lactamase KPC
() | BDBM50569686
(CHEMBL4868540)Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1cc(Cl)cc(Cl)c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113418
BindingDB Entry DOI: 10.7270/Q26977C2 |
More data for this
Ligand-Target Pair | |
Carbapenem-hydrolyzing beta-lactamase KPC
() | BDBM50569680
(CHEMBL4862416) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113418
BindingDB Entry DOI: 10.7270/Q26977C2 |
More data for this
Ligand-Target Pair | |
Chymotrypsin-like elastase family member 2A
(Sus scrofa) | BDBM50282869
(4-(1-Ethyl-propyl)-1,1-dioxo-2-(1-phenyl-1H-tetraz...)Show SMILES CCC(CC)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C20H21N5O3S2/c1-3-14(4-2)16-11-8-12-17-18(16)19(26)24(30(17,27)28)13-29-20-21-22-23-25(20)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| >1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent binding constant Ki=Kon/Koff |
Bioorg Med Chem Lett 6: 2941-2946 (1996)
Article DOI: 10.1016/S0960-894X(96)00553-7
BindingDB Entry DOI: 10.7270/Q2KP825W |
More data for this
Ligand-Target Pair | |
Carbapenem-hydrolyzing beta-lactamase KPC
() | BDBM50569689
(CHEMBL4855728)Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(Br)cc1)c1ccc(Cl)cc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113418
BindingDB Entry DOI: 10.7270/Q26977C2 |
More data for this
Ligand-Target Pair | |
Carbapenem-hydrolyzing beta-lactamase KPC
() | BDBM50569696
(CHEMBL4867248)Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc2ccccc2c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113418
BindingDB Entry DOI: 10.7270/Q26977C2 |
More data for this
Ligand-Target Pair | |
Carbapenem-hydrolyzing beta-lactamase KPC
() | BDBM50569690
(CHEMBL4876416)Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(Cl)cc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113418
BindingDB Entry DOI: 10.7270/Q26977C2 |
More data for this
Ligand-Target Pair | |
Carbapenem-hydrolyzing beta-lactamase KPC
() | BDBM50569699
(CHEMBL4855195)Show SMILES CCOc1ccc(cc1)N1C(C\C1=N/c1ccc(OC)cc1)c1ccc2ccccc2c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113418
BindingDB Entry DOI: 10.7270/Q26977C2 |
More data for this
Ligand-Target Pair | |
Carbapenem-hydrolyzing beta-lactamase KPC
() | BDBM50569698
(CHEMBL4855265)Show SMILES CCOc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc2ccccc2c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113418
BindingDB Entry DOI: 10.7270/Q26977C2 |
More data for this
Ligand-Target Pair | |
Carbapenem-hydrolyzing beta-lactamase KPC
() | BDBM50569692
(CHEMBL4864504)Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(Cl)cc1Cl | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113418
BindingDB Entry DOI: 10.7270/Q26977C2 |
More data for this
Ligand-Target Pair | |
Carbapenem-hydrolyzing beta-lactamase KPC
() | BDBM50569688
(CHEMBL4848727)Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(Cl)cc1)c1ccc(Cl)cc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113418
BindingDB Entry DOI: 10.7270/Q26977C2 |
More data for this
Ligand-Target Pair | |
Carbapenem-hydrolyzing beta-lactamase KPC
() | BDBM50569697
(CHEMBL4860974)Show SMILES CCOc1ccc(cc1)N1C(C\C1=N/c1ccc(Cl)cc1)c1ccc2ccccc2c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113418
BindingDB Entry DOI: 10.7270/Q26977C2 |
More data for this
Ligand-Target Pair | |
Carbapenem-hydrolyzing beta-lactamase KPC
() | BDBM50569687
(CHEMBL4862171)Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1ccc2ccccc2c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113418
BindingDB Entry DOI: 10.7270/Q26977C2 |
More data for this
Ligand-Target Pair | |
Carbapenem-hydrolyzing beta-lactamase KPC
() | BDBM50569691
(CHEMBL4866009)Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113418
BindingDB Entry DOI: 10.7270/Q26977C2 |
More data for this
Ligand-Target Pair | |
Carbapenem-hydrolyzing beta-lactamase KPC
() | BDBM50569684
(CHEMBL4865343) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113418
BindingDB Entry DOI: 10.7270/Q26977C2 |
More data for this
Ligand-Target Pair | |
Carbapenem-hydrolyzing beta-lactamase KPC
() | BDBM50569683
(CHEMBL4849406)Show SMILES C1C(N(\C1=N\c1ccccc1)c1ccc2OCCOc2c1)c1ccccc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113418
BindingDB Entry DOI: 10.7270/Q26977C2 |
More data for this
Ligand-Target Pair | |
Carbapenem-hydrolyzing beta-lactamase KPC
() | BDBM50569682
(CHEMBL4849131) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113418
BindingDB Entry DOI: 10.7270/Q26977C2 |
More data for this
Ligand-Target Pair | |
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