BDBM23447 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide::Chloramphenicol::Chlornitromycin::Chloromycetin

SMILES OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+]([O-])=O

InChI Key InChIKey=WIIZWVCIJKGZOK-RKDXNWHRSA-N

Data  1 KI  5 IC50  1 EC50  3 ITC

PDB links: 35 PDB IDs match this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 23447   

TargetCytochrome P450 3A4(Homo sapiens (Human))
University Of California At Santa Cruz

Curated by ChEMBL
LigandPNGBDBM23447(2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitroph...)
Affinity DataKi:  1.06E+4nMAssay Description:Inhibition of recombinant CYP34A (unknown origin) using fluorogenic substrate in presence of NADPH generating system by fluoroscence analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM23447(2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitroph...)
Affinity DataIC50: >9.58E+5nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM23447(2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitroph...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM23447(2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitroph...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMethionine--tRNA ligase, mitochondrial(Homo sapiens)
University Of Washington

Curated by ChEMBL
LigandPNGBDBM23447(2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitroph...)
Affinity DataEC50:  7.90E+3nMAssay Description:Inhibition of mitochondrial MetRS-mediated mitochondrial protein synthesis in human HepG2 cells measured after 6 days by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM23447(2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitroph...)
Affinity DataIC50: >1.35E+5nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM23447(2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitroph...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 3 hits for monomerid = 23447   

CellTranscriptional Regulator TtgR(Pseudomonas putida)
Estacion Experimental Del Zaidin

SyringePNGBDBM23447(2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitroph...)
ITC DataΔG°: -6.64kcal/mole −TΔS°: 6.74kcal/mole ΔH°: -13.4kcal/mole logk: 6.30E+4
pH: 7.0 T: 30.00°C 
CellTranscriptional Regulator TtgR(Pseudomonas putida)
Estacion Experimental Del Zaidin

SyringePNGBDBM23447(2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitroph...)
ITC DataΔG°: -6.87kcal/mole −TΔS°: 9.41kcal/mole ΔH°: -16.3kcal/mole logk: 9.17E+4
pH: 7.0 T: 30.00°C 
CellTranscriptional Regulator TtgR-DNA(Pseudomonas putida)
Estacion Experimental Del Zaidin

SyringePNGBDBM23447(2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitroph...)
ITC DataΔG°: -6.37kcal/mole −TΔS°: 4.91kcal/mole ΔH°: -11.3kcal/mole logk: 4.00E+4
pH: 7.0 T: 30.00°C