Found 40 hits with Last Name = 'stratton' and Initial = 'cf' 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 |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598740
![PNG](/data/jpeg/tenK5059/BindingDB_50598740.png) (CHEMBL5175227)Show SMILES Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598738
![PNG](/data/jpeg/tenK5059/BindingDB_50598738.png) (CHEMBL5204065)Show SMILES Cn1nncc1-c1cnn(c1)[C@H](Cc1ccc(F)cc1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598739
![PNG](/data/jpeg/tenK5059/BindingDB_50598739.png) (CHEMBL5188215)Show SMILES COCC[C@H](c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1)n1cc(cn1)-c1cnnn1C |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598724
![PNG](/data/jpeg/tenK5059/BindingDB_50598724.png) (CHEMBL5170592)Show SMILES Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598737
![PNG](/data/jpeg/tenK5059/BindingDB_50598737.png) (CHEMBL5205631)Show SMILES Cn1nncc1-c1cnn(c1)[C@H](CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598741
![PNG](/data/jpeg/tenK5059/BindingDB_50598741.png) (CHEMBL5204894)Show SMILES Cn1nncc1-c1cnn(c1)[C@H](Cc1ccc(F)cc1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598725
![PNG](/data/jpeg/tenK5059/BindingDB_50598725.png) (CHEMBL5185397)Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598743
![PNG](/data/jpeg/tenK5059/BindingDB_50598743.png) (CHEMBL5178223)Show SMILES Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(nn1)C(F)(F)F |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598745
![PNG](/data/jpeg/tenK5059/BindingDB_50598745.png) (CHEMBL5198823)Show SMILES Cn1nncc1-c1cnn(c1)[C@H](Cc1ccn(n1)C(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(nn1)C(F)(F)F |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598734
![PNG](/data/jpeg/tenK5059/BindingDB_50598734.png) (CHEMBL5197480)Show SMILES Cc1ncsc1-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598736
![PNG](/data/jpeg/tenK5059/BindingDB_50598736.png) (CHEMBL5208095)Show SMILES Cn1cncc1-c1cnn(c1)[C@H](CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598744
![PNG](/data/jpeg/tenK5059/BindingDB_50598744.png) (CHEMBL5190323)Show SMILES Cn1nncc1-c1cnn(c1)[C@H](Cn1cc(F)cn1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598732
![PNG](/data/jpeg/tenK5059/BindingDB_50598732.png) (CHEMBL5192284)Show SMILES [O-][n+]1cc(ccc1C(CC1CC1)n1cc(cn1)-c1c(F)cncc1Cl)-c1c(F)c(Cl)ccc1-n1cnnn1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16300
![PNG](/data/jpeg/tenK1/BindingDB_16300.png) (INH-NAD Adduct | ISONICOTINIC-ACETYL-NICOTINAMIDE-...)Show SMILES NC(=O)C1=CN(C=C[C@@H]1C(=O)c1ccncc1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,c:6,t:3| Show InChI InChI=1S/C27H32N8O15P2/c28-23-17-25(32-10-31-23)35(11-33-17)27-22(40)20(38)16(49-27)9-47-52(44,45)50-51(42,43)46-8-15-19(37)21(39)26(48-15)34-6-3-13(14(7-34)24(29)41)18(36)12-1-4-30-5-2-12/h1-7,10-11,13,15-16,19-22,26-27,37-40H,8-9H2,(H2,29,41)(H,42,43)(H,44,45)(H2,28,31,32)/t13-,15+,16+,19+,20+,21+,22+,26+,27+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| KEGG MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 0.75 | -51.6 | n/a | n/a | n/a | n/a | n/a | 6.8 | 22 |
SUNY Stony Brook
| Assay Description Inhibition constants (Ki) were calculated by determining the kcat and Km (DDCoA) values at several fixed inhibitor concentrations. The inhibition dat... |
ACS Chem Biol 1: 43-53 (2006)
Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16298
![PNG](/data/jpeg/tenK1/BindingDB_16298.png) (5-Octyl-2-phenoxy-phenol | 5-heptyl-2-phenoxylphen...)Show InChI InChI=1S/C20H26O2/c1-2-3-4-5-6-8-11-17-14-15-20(19(21)16-17)22-18-12-9-7-10-13-18/h7,9-10,12-16,21H,2-6,8,11H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 1.10 | -50.6 | n/a | n/a | n/a | n/a | n/a | 6.8 | 22 |
SUNY Stony Brook
| Assay Description Inhibition constants (Ki) were calculated by determining the kcat and Km (DDCoA) values at several fixed inhibitor concentrations. The inhibition dat... |
ACS Chem Biol 1: 43-53 (2006)
Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598742
![PNG](/data/jpeg/tenK5059/BindingDB_50598742.png) (CHEMBL5182855)Show SMILES COCC[C@H](c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1)n1cc(cn1)-c1cnnn1C |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598729
![PNG](/data/jpeg/tenK5059/BindingDB_50598729.png) (CHEMBL5195600)Show SMILES COC(=O)Nc1ccc(cc1)-c1cnn(c1)[C@H](CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598727
![PNG](/data/jpeg/tenK5059/BindingDB_50598727.png) (CHEMBL5198338)Show SMILES COC(=O)Nc1ccc(cc1)-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598735
![PNG](/data/jpeg/tenK5059/BindingDB_50598735.png) (CHEMBL5193267)Show SMILES Cn1nccc1-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598730
![PNG](/data/jpeg/tenK5059/BindingDB_50598730.png) (CHEMBL5204289)Show SMILES Cc1nc(N)ccc1-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598731
![PNG](/data/jpeg/tenK5059/BindingDB_50598731.png) (CHEMBL5198972)Show SMILES Nc1ccc(-c2cnn(c2)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2-n2cnnn2)c(F)n1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598733
![PNG](/data/jpeg/tenK5059/BindingDB_50598733.png) (CHEMBL5188316)Show SMILES [O-][n+]1cc(ccc1C(CC1CC1)n1cc(cn1)-c1cncs1)-c1c(F)c(Cl)ccc1-n1cnnn1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598726
![PNG](/data/jpeg/tenK5059/BindingDB_50598726.png) (CHEMBL5171252)Show SMILES COC(=O)Nc1ccc(cc1)-c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16297
![PNG](/data/jpeg/tenK1/BindingDB_16297.png) (5-Hexyl-2-phenoxy-phenol | 5-hexyl-2-phenoxylpheno...)Show InChI InChI=1S/C18H22O2/c1-2-3-4-6-9-15-12-13-18(17(19)14-15)20-16-10-7-5-8-11-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 9.40 | -45.4 | n/a | n/a | n/a | n/a | n/a | 6.8 | 22 |
SUNY Stony Brook
| Assay Description Inhibition constants (Ki) were calculated by determining the kcat and Km (DDCoA) values at several fixed inhibitor concentrations. The inhibition dat... |
ACS Chem Biol 1: 43-53 (2006)
Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16296
![PNG](/data/jpeg/tenK1/BindingDB_16296.png) (5-Pentyl-2-phenoxy-phenol | 5-pentyl-2-phenoxylphe...)Show InChI InChI=1S/C17H20O2/c1-2-3-5-8-14-11-12-17(16(18)13-14)19-15-9-6-4-7-10-15/h4,6-7,9-13,18H,2-3,5,8H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank MMDB PDB Article PubMed
| 11.8 | -44.8 | n/a | n/a | n/a | n/a | n/a | 6.8 | 22 |
SUNY Stony Brook
| Assay Description Inhibition constants (Ki) were calculated by determining the kcat and Km (DDCoA) values at several fixed inhibitor concentrations. The inhibition dat... |
ACS Chem Biol 1: 43-53 (2006)
Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16299
![PNG](/data/jpeg/tenK1/BindingDB_16299.png) (14PP | 2-phenoxy-5-tetradecylphenol)Show InChI InChI=1S/C26H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-23-20-21-26(25(27)22-23)28-24-18-15-13-16-19-24/h13,15-16,18-22,27H,2-12,14,17H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| 30.3 | -42.5 | n/a | n/a | n/a | n/a | n/a | 6.8 | 22 |
SUNY Stony Brook
| Assay Description Inhibition constants (Ki) were calculated by determining the kcat and Km (DDCoA) values at several fixed inhibitor concentrations. The inhibition dat... |
ACS Chem Biol 1: 43-53 (2006)
Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK |
More data for this Ligand-Target Pair | |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598728
![PNG](/data/jpeg/tenK5059/BindingDB_50598728.png) (CHEMBL5180591)Show SMILES COC(=O)Nc1ccc(cc1)-c1cnn(c1)[C@@H](CC1CC1)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cnnn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM8726
![PNG](/data/jpeg/tenK0/BindingDB_8726.png) (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 220 | -37.6 | n/a | n/a | n/a | n/a | n/a | 6.8 | 22 |
SUNY Stony Brook
| Assay Description Inhibition constants (Ki) were calculated by determining the kcat and Km (DDCoA) values at several fixed inhibitor concentrations. The inhibition dat... |
ACS Chem Biol 1: 43-53 (2006)
Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Coagulation factor XI
(Homo sapiens (Human)) | BDBM50598724
![PNG](/data/jpeg/tenK5059/BindingDB_50598724.png) (CHEMBL5170592)Show SMILES Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16298
![PNG](/data/jpeg/tenK1/BindingDB_16298.png) (5-Octyl-2-phenoxy-phenol | 5-heptyl-2-phenoxylphen...)Show InChI InChI=1S/C20H26O2/c1-2-3-4-5-6-8-11-17-14-15-20(19(21)16-17)22-18-12-9-7-10-13-18/h7,9-10,12-16,21H,2-6,8,11H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | 6.8 | 22 |
SUNY Stony Brook
| Assay Description The assay measured the NADH-dependent catalysis of a DD-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to NAD. Th... |
ACS Chem Biol 1: 43-53 (2006)
Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16297
![PNG](/data/jpeg/tenK1/BindingDB_16297.png) (5-Hexyl-2-phenoxy-phenol | 5-hexyl-2-phenoxylpheno...)Show InChI InChI=1S/C18H22O2/c1-2-3-4-6-9-15-12-13-18(17(19)14-15)20-16-10-7-5-8-11-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | 6.8 | 22 |
SUNY Stony Brook
| Assay Description The assay measured the NADH-dependent catalysis of a DD-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to NAD. Th... |
ACS Chem Biol 1: 43-53 (2006)
Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16296
![PNG](/data/jpeg/tenK1/BindingDB_16296.png) (5-Pentyl-2-phenoxy-phenol | 5-pentyl-2-phenoxylphe...)Show InChI InChI=1S/C17H20O2/c1-2-3-5-8-14-11-12-17(16(18)13-14)19-15-9-6-4-7-10-15/h4,6-7,9-13,18H,2-3,5,8H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | 6.8 | 22 |
SUNY Stony Brook
| Assay Description The assay measured the NADH-dependent catalysis of a DD-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to NAD. Th... |
ACS Chem Biol 1: 43-53 (2006)
Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50598724
![PNG](/data/jpeg/tenK5059/BindingDB_50598724.png) (CHEMBL5170592)Show SMILES Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1 |r| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16295
![PNG](/data/jpeg/tenK1/BindingDB_16295.png) (4PP | 5-Butyl-2-phenoxy-phenol | 5-butyl-2-phenoxy...)Show InChI InChI=1S/C16H18O2/c1-2-3-7-13-10-11-16(15(17)12-13)18-14-8-5-4-6-9-14/h4-6,8-12,17H,2-3,7H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | 6.8 | 22 |
SUNY Stony Brook
| Assay Description The assay measured the NADH-dependent catalysis of a DD-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to NAD. Th... |
ACS Chem Biol 1: 43-53 (2006)
Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16299
![PNG](/data/jpeg/tenK1/BindingDB_16299.png) (14PP | 2-phenoxy-5-tetradecylphenol)Show InChI InChI=1S/C26H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-23-20-21-26(25(27)22-23)28-24-18-15-13-16-19-24/h13,15-16,18-22,27H,2-12,14,17H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | 6.8 | 22 |
SUNY Stony Brook
| Assay Description The assay measured the NADH-dependent catalysis of a DD-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to NAD. Th... |
ACS Chem Biol 1: 43-53 (2006)
Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM8726
![PNG](/data/jpeg/tenK0/BindingDB_8726.png) (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | 6.8 | 22 |
SUNY Stony Brook
| Assay Description The assay measured the NADH-dependent catalysis of a DD-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to NAD. Th... |
ACS Chem Biol 1: 43-53 (2006)
Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16294
![PNG](/data/jpeg/tenK1/BindingDB_16294.png) (2PP | 5-Ethyl-2-phenoxy-phenol | 5-butyl-2-phenoxy...)Show InChI InChI=1S/C14H14O2/c1-2-11-8-9-14(13(15)10-11)16-12-6-4-3-5-7-12/h3-10,15H,2H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | 6.8 | 22 |
SUNY Stony Brook
| Assay Description The assay measured the NADH-dependent catalysis of a DD-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to NAD. Th... |
ACS Chem Biol 1: 43-53 (2006)
Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50598724
![PNG](/data/jpeg/tenK5059/BindingDB_50598724.png) (CHEMBL5170592)Show SMILES Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50598724
![PNG](/data/jpeg/tenK5059/BindingDB_50598724.png) (CHEMBL5170592)Show SMILES Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1 |r| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50598724
![PNG](/data/jpeg/tenK5059/BindingDB_50598724.png) (CHEMBL5170592)Show SMILES Cn1nncc1-c1cnn(c1)[C@H](CCOC(F)F)c1ccc(c[n+]1[O-])-c1c(F)c(Cl)ccc1-n1cc(Cl)nn1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | >9.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00442 BindingDB Entry DOI: 10.7270/Q2C82FBD |
More data for this Ligand-Target Pair | |