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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...) | BDBM50436715![]() (CHEMBL2398661) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem | Article PubMed | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Naval Research Laboratories Curated by ChEMBL | Assay Description Competitive inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrat... | J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...) | BDBM50436718![]() (CHEMBL1341978) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem | Article PubMed | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Naval Research Laboratories Curated by ChEMBL | Assay Description Competitive inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrat... | J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Botulinum neurotoxin type A (Clostridium botulinum (strain Hall / ATCC 3502 / N...) | BDBM50362900![]() (CHEMBL1945284) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
U.S. Army Medical Research Institute for Infectious Diseases Curated by ChEMBL | Assay Description Inhibition of Clostridium botulinum Hall BoNT/A light chain using SNAP-25 (187 to 203) as substrate by HPLC analysis | ACS Med Chem Lett 2: 396-401 (2011) Article DOI: 10.1021/ml200028z BindingDB Entry DOI: 10.7270/Q2JD4X80 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Botulinum neurotoxin type A (Clostridium botulinum (strain Hall / ATCC 3502 / N...) | BDBM50362899![]() (CHEMBL1945167) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
U.S. Army Medical Research Institute for Infectious Diseases Curated by ChEMBL | Assay Description Inhibition of Clostridium botulinum Hall BoNT/A light chain using SNAP-25 (187 to 203) as substrate by HPLC analysis | ACS Med Chem Lett 2: 396-401 (2011) Article DOI: 10.1021/ml200028z BindingDB Entry DOI: 10.7270/Q2JD4X80 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...) | BDBM8726![]() (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Naval Research Laboratories Curated by ChEMBL | Assay Description Inhibition of C-terminal His6-tagged wild type Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate ... | J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Botulinum neurotoxin type A (Clostridium botulinum (strain Hall / ATCC 3502 / N...) | BDBM50362898![]() (CHEMBL1945166) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
U.S. Army Medical Research Institute for Infectious Diseases Curated by ChEMBL | Assay Description Inhibition of Clostridium botulinum Hall BoNT/A light chain using SNAP-25 (187 to 203) as substrate by HPLC analysis | ACS Med Chem Lett 2: 396-401 (2011) Article DOI: 10.1021/ml200028z BindingDB Entry DOI: 10.7270/Q2JD4X80 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Botulinum neurotoxin type A (Clostridium botulinum (strain Hall / ATCC 3502 / N...) | BDBM50308030![]() (5-chloro-7-((4-ethoxyphenyl)(pyridin-3-ylamino)met...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Clostridium botulinum Hall BoNT/A protease activity using Ac-SNKTRIDEANQRATKML-NH2 as substrate after 5 mins by RP-HPLC analysis | ACS Med Chem Lett 3: 387-391 (2012) Article DOI: 10.1021/ml200312s BindingDB Entry DOI: 10.7270/Q2KK9CVX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...) | BDBM50436716![]() (CHEMBL1390649) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Naval Research Laboratories Curated by ChEMBL | Assay Description Inhibition of C-terminal His6-tagged wild type Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate ... | J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Botulinum neurotoxin type A (Clostridium botulinum (strain Hall / ATCC 3502 / N...) | BDBM50388866![]() (CHEMBL2062928) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Clostridium botulinum Hall BoNT/A protease activity using Ac-SNKTRIDEANQRATKML-NH2 as substrate after 5 mins by RP-HPLC analysis | ACS Med Chem Lett 3: 387-391 (2012) Article DOI: 10.1021/ml200312s BindingDB Entry DOI: 10.7270/Q2KK9CVX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...) | BDBM50436719![]() (CHEMBL2398664) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Naval Research Laboratories Curated by ChEMBL | Assay Description Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed a... | J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...) | BDBM50436718![]() (CHEMBL1341978) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Naval Research Laboratories Curated by ChEMBL | Assay Description Inhibition of C-terminal His6-tagged wild type Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate ... | J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Botulinum neurotoxin type A (Clostridium botulinum (strain Hall / ATCC 3502 / N...) | BDBM50388866![]() (CHEMBL2062928) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Clostridium botulinum Hall BoNT/A protease activity using Ac-SNKTRIDEANQRATKML-NH2 as substrate after 5 mins by RP-HPLC analysis | ACS Med Chem Lett 3: 387-391 (2012) Article DOI: 10.1021/ml200312s BindingDB Entry DOI: 10.7270/Q2KK9CVX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...) | BDBM50436717![]() (CHEMBL2398663) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Naval Research Laboratories Curated by ChEMBL | Assay Description Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed a... | J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...) | BDBM50436716![]() (CHEMBL1390649) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Naval Research Laboratories Curated by ChEMBL | Assay Description Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed a... | J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...) | BDBM50436715![]() (CHEMBL2398661) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Naval Research Laboratories Curated by ChEMBL | Assay Description Inhibition of C-terminal His6-tagged wild type Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate ... | J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Botulinum neurotoxin type A (Clostridium botulinum (strain Hall / ATCC 3502 / N...) | BDBM50388865![]() (CHAETOCHROMIN A) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Clostridium botulinum Hall BoNT/A protease activity using Ac-SNKTRIDEANQRATKML-NH2 as substrate after 5 mins by RP-HPLC analysis | ACS Med Chem Lett 3: 387-391 (2012) Article DOI: 10.1021/ml200312s BindingDB Entry DOI: 10.7270/Q2KK9CVX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Botulinum neurotoxin type A (Clostridium botulinum (strain Hall / ATCC 3502 / N...) | BDBM50388867![]() (SECALONIC ACID A) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.86E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Clostridium botulinum Hall BoNT/A protease activity using Ac-SNKTRIDEANQRATKML-NH2 as substrate after 5 mins by RP-HPLC analysis | ACS Med Chem Lett 3: 387-391 (2012) Article DOI: 10.1021/ml200312s BindingDB Entry DOI: 10.7270/Q2KK9CVX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Botulinum neurotoxin type A (Clostridium botulinum (strain Hall / ATCC 3502 / N...) | BDBM50269745![]() (CHEMBL463175 | Cephalochromin | cid_160115) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.92E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Clostridium botulinum Hall BoNT/A protease activity using Ac-SNKTRIDEANQRATKML-NH2 as substrate after 5 mins by RP-HPLC analysis | ACS Med Chem Lett 3: 387-391 (2012) Article DOI: 10.1021/ml200312s BindingDB Entry DOI: 10.7270/Q2KK9CVX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Botulinum neurotoxin type A (Clostridium botulinum (strain Hall / ATCC 3502 / N...) | BDBM50388868![]() (CHEMBL472851) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Clostridium botulinum Hall BoNT/A protease activity using Ac-SNKTRIDEANQRATKML-NH2 as substrate after 5 mins by RP-HPLC analysis | ACS Med Chem Lett 3: 387-391 (2012) Article DOI: 10.1021/ml200312s BindingDB Entry DOI: 10.7270/Q2KK9CVX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...) | BDBM50436714![]() (CHEMBL2398662) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Naval Research Laboratories Curated by ChEMBL | Assay Description Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed a... | J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...) | BDBM35525![]() (3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Naval Research Laboratories Curated by ChEMBL | Assay Description Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed a... | J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...) | BDBM50087289![]() (1-beta-D-Arabinofuranosylcytosine | 4-Amino-1-beta...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 5.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Naval Research Laboratories Curated by ChEMBL | Assay Description Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed a... | J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...) | BDBM50436713![]() (BUTENAFINE | Mentax | Mentax-TC) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase DrugBank MCE KEGG PC cid PC sid UniChem | Article PubMed | n/a | n/a | 7.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Naval Research Laboratories Curated by ChEMBL | Assay Description Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed a... | J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] (Francisella tularensis subsp. tularensis (strain S...) | BDBM50049240![]() ((+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)m...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Naval Research Laboratories Curated by ChEMBL | Assay Description Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed a... | J Med Chem 56: 5275-87 (2014) Article DOI: 10.1021/jm4001242 BindingDB Entry DOI: 10.7270/Q2D79CTG | |||||||||||
More data for this Ligand-Target Pair |