Found 16 hits of Enzyme Inhibition Constant Data 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 |
|---|
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50227275
(PD-117558)Show SMILES CCNCC1CCN(C1)c1c(F)cc2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 Show InChI InChI=1S/C20H23F2N3O3/c1-2-23-8-11-5-6-24(9-11)18-15(21)7-13-17(16(18)22)25(12-3-4-12)10-14(19(13)26)20(27)28/h7,10-12,23H,2-6,8-9H2,1H3,(H,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 3.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
50% inhibitory concentration against DNA-gyrase |
J Med Chem 31: 503-6 (1988)
BindingDB Entry DOI: 10.7270/Q23B62BK |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50227280
(CHEMBL15247)Show SMILES CCNCC1CCN(C1)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 Show InChI InChI=1S/C20H24F2N4O3/c1-2-24-7-10-5-6-25(8-10)18-14(21)16(23)13-17(15(18)22)26(11-3-4-11)9-12(19(13)27)20(28)29/h9-11,24H,2-8,23H2,1H3,(H,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 6.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
50% inhibitory concentration against DNA-gyrase |
J Med Chem 31: 503-6 (1988)
BindingDB Entry DOI: 10.7270/Q23B62BK |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50227274
(CHEMBL15186)Show SMILES NC1CCN(C1)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 Show InChI InChI=1S/C17H18F2N4O3/c18-11-13(21)10-14(12(19)15(11)22-4-3-7(20)5-22)23(8-1-2-8)6-9(16(10)24)17(25)26/h6-8H,1-5,20-21H2,(H,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
50% inhibitory concentration against DNA-gyrase |
J Med Chem 31: 503-6 (1988)
BindingDB Entry DOI: 10.7270/Q23B62BK |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50227279
(CHEMBL47028)Show SMILES CN1CCN(CC1)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 Show InChI InChI=1S/C18H20F2N4O3/c1-22-4-6-23(7-5-22)16-12(19)14(21)11-15(13(16)20)24(9-2-3-9)8-10(17(11)25)18(26)27/h8-9H,2-7,21H2,1H3,(H,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
50% inhibitory concentration against DNA-gyrase |
J Med Chem 31: 503-6 (1988)
BindingDB Entry DOI: 10.7270/Q23B62BK |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50227282
(CHEMBL275174)Show SMILES CNCC1CCN(C1)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 Show InChI InChI=1S/C19H22F2N4O3/c1-23-6-9-4-5-24(7-9)17-13(20)15(22)12-16(14(17)21)25(10-2-3-10)8-11(18(12)26)19(27)28/h8-10,23H,2-7,22H2,1H3,(H,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
50% inhibitory concentration against DNA-gyrase |
J Med Chem 31: 503-6 (1988)
BindingDB Entry DOI: 10.7270/Q23B62BK |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50227273
(CHEMBL15391)Show SMILES NCC1CCN(C1)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 Show InChI InChI=1S/C18H20F2N4O3/c19-12-14(22)11-15(13(20)16(12)23-4-3-8(5-21)6-23)24(9-1-2-9)7-10(17(11)25)18(26)27/h7-9H,1-6,21-22H2,(H,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
50% inhibitory concentration against DNA-gyrase |
J Med Chem 31: 503-6 (1988)
BindingDB Entry DOI: 10.7270/Q23B62BK |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50227283
(CHEMBL274469)Show SMILES Nc1c(F)c(N2CCNCC2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1 Show InChI InChI=1S/C17H18F2N4O3/c18-11-13(20)10-14(12(19)15(11)22-5-3-21-4-6-22)23(8-1-2-8)7-9(16(10)24)17(25)26/h7-8,21H,1-6,20H2,(H,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
50% inhibitory concentration against DNA-gyrase |
J Med Chem 31: 503-6 (1988)
BindingDB Entry DOI: 10.7270/Q23B62BK |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50227277
(CHEMBL15549)Show SMILES OC(=O)c1cn(C2CC2)c2c(F)c(N3CCNCC3)c(F)cc2c1=O Show InChI InChI=1S/C17H17F2N3O3/c18-12-7-10-14(13(19)15(12)21-5-3-20-4-6-21)22(9-1-2-9)8-11(16(10)23)17(24)25/h7-9,20H,1-6H2,(H,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
50% inhibitory concentration against DNA-gyrase |
J Med Chem 31: 503-6 (1988)
BindingDB Entry DOI: 10.7270/Q23B62BK |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM21690
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PubMed
| n/a | n/a | 1.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
50% inhibitory concentration against DNA-gyrase |
J Med Chem 31: 503-6 (1988)
BindingDB Entry DOI: 10.7270/Q23B62BK |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50045004
(9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-ox...)Show SMILES CC1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O Show InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
50% inhibitory concentration against DNA-gyrase |
J Med Chem 31: 503-6 (1988)
BindingDB Entry DOI: 10.7270/Q23B62BK |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50227281
(CHEMBL359193)Show SMILES CCNCC1CCN(C1)c1c(F)c(NC)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 Show InChI InChI=1S/C21H26F2N4O3/c1-3-25-8-11-6-7-26(9-11)19-15(22)17(24-2)14-18(16(19)23)27(12-4-5-12)10-13(20(14)28)21(29)30/h10-12,24-25H,3-9H2,1-2H3,(H,29,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
50% inhibitory concentration against DNA-gyrase |
J Med Chem 31: 503-6 (1988)
BindingDB Entry DOI: 10.7270/Q23B62BK |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50227285
(CHEMBL149425)Show SMILES CNc1c(F)c(N2CCNCC2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1 Show InChI InChI=1S/C18H20F2N4O3/c1-21-14-11-15(13(20)16(12(14)19)23-6-4-22-5-7-23)24(9-2-3-9)8-10(17(11)25)18(26)27/h8-9,21-22H,2-7H2,1H3,(H,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
50% inhibitory concentration against DNA-gyrase |
J Med Chem 31: 503-6 (1988)
BindingDB Entry DOI: 10.7270/Q23B62BK |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50227278
(CHEMBL146339)Show SMILES CC1COc2c(N3CCN(C)CC3)c(F)c(N)c3c2n1cc(C(O)=O)c3=O Show InChI InChI=1S/C18H21FN4O4/c1-9-8-27-17-14-11(16(24)10(18(25)26)7-23(9)14)13(20)12(19)15(17)22-5-3-21(2)4-6-22/h7,9H,3-6,8,20H2,1-2H3,(H,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
50% inhibitory concentration against DNA-gyrase |
J Med Chem 31: 503-6 (1988)
BindingDB Entry DOI: 10.7270/Q23B62BK |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50227276
(CHEMBL356984)Show SMILES CCNCC1CCN(C1)c1c(F)c(NC(C)=O)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 Show InChI InChI=1S/C22H26F2N4O4/c1-3-25-8-12-6-7-27(9-12)20-16(23)18(26-11(2)29)15-19(17(20)24)28(13-4-5-13)10-14(21(15)30)22(31)32/h10,12-13,25H,3-9H2,1-2H3,(H,26,29)(H,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.22E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
50% inhibitory concentration against DNA-gyrase |
J Med Chem 31: 503-6 (1988)
BindingDB Entry DOI: 10.7270/Q23B62BK |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50227272
(CHEMBL422131)Show SMILES CC(=O)Nc1c(F)c(N2CCNCC2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1 Show InChI InChI=1S/C19H20F2N4O4/c1-9(26)23-15-12-16(14(21)17(13(15)20)24-6-4-22-5-7-24)25(10-2-3-10)8-11(18(12)27)19(28)29/h8,10,22H,2-7H2,1H3,(H,23,26)(H,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.46E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
50% inhibitory concentration against DNA-gyrase |
J Med Chem 31: 503-6 (1988)
BindingDB Entry DOI: 10.7270/Q23B62BK |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50227284
(CHEMBL42299)Show SMILES CN(C)c1c(F)c(N2CCN(C)CC2)c(F)c2n(cc(C(O)=O)c(=O)c12)C1CC1 Show InChI InChI=1S/C20H24F2N4O3/c1-23(2)16-13-17(26(11-4-5-11)10-12(19(13)27)20(28)29)15(22)18(14(16)21)25-8-6-24(3)7-9-25/h10-11H,4-9H2,1-3H3,(H,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >4.92E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
50% inhibitory concentration against DNA-gyrase |
J Med Chem 31: 503-6 (1988)
BindingDB Entry DOI: 10.7270/Q23B62BK |
More data for this
Ligand-Target Pair | |
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