BDBM50073099 (9E,11E)-(4R,6R,8R)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxa-tricyclo[13.4.0.0*6,8*]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione::(9E,11E)-(4R,6S,8S)-16-Chloro-17,19-dihydroxy-4-methyl-3,7-dioxa-tricyclo[13.4.0.0*6,8*]nonadeca-1(19),9,11,15,17-pentaene-2,13-dione::(9Z,11E)-(4R,6R,8R)-16-Chloro-17,19-dihydroxy-4-methyl-3,7-dioxa-tricyclo[13.4.0.0*6,8*]nonadeca-1(19),9,11,15,17-pentaene-2,13-dione::(9Z,11E)-(4R,6R,8R)-17,19-Dihydroxy-4-methyl-3,7-dioxa-tricyclo[13.4.0.0*6,8*]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione::(9Z,11E)-(4S,6R,8S)-16-Chloro-17,19-dihydroxy-4-methyl-3,7-dioxa-tricyclo[13.4.0.0*6,8*]nonadeca-1(19),9,11,15,17-pentaene-2,13-dione::(RA)/17-(allylamino)-17-demethoxygeldanamycin::(Z)-(R)-16-Chloro-17,19-dihydroxy-4-(R)-methyl-3,7-dioxa-tricyclo[13.4.0.0*6,8*]nonadeca-1(19),9,11,15,17-pentaene-2,13-dione::16-Chloro-17,19-dihydroxy-4-methyl-3,7-dioxa-tricyclo[13.4.0.0*6,8*]nonadeca-1(19),9,11,15,17-pentaene-2,13-dione::CHEMBL453386::cid_16196977::radicicol

SMILES C[C@H]1C[C@H]2O[C@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1

InChI Key InChIKey=WYZWZEOGROVVHK-ULKVUYOBSA-N

Data  1 KI  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50073099   

TargetCarbonyl reductase [NADPH] 1(Homo sapiens (Human))
UniversitäT TüBingen

Curated by ChEMBL
LigandPNGBDBM50073099((9E,11E)-(4R,6R,8R)-16-chloro-17,19-dihydroxy-4-me...)
Affinity DataKi:  520nMAssay Description:Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50073099((9E,11E)-(4R,6R,8R)-16-chloro-17,19-dihydroxy-4-me...)
Affinity DataIC50:  5.66E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCarbonyl reductase [NADPH] 1(Homo sapiens (Human))
UniversitäT TüBingen

Curated by ChEMBL
LigandPNGBDBM50073099((9E,11E)-(4R,6R,8R)-16-chloro-17,19-dihydroxy-4-me...)
Affinity DataIC50:  3.27E+3nMAssay Description:Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNACHT, LRR and PYD domains-containing protein 3(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50073099((9E,11E)-(4R,6R,8R)-16-chloro-17,19-dihydroxy-4-me...)
Affinity DataIC50:  8.41E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProto-oncogene tyrosine-protein kinase Src(Rattus norvegicus)
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50073099((9E,11E)-(4R,6R,8R)-16-chloro-17,19-dihydroxy-4-me...)
Affinity DataIC50:  180nMAssay Description:Inhibition of v-Src tyrosine kinase autophosphorylation in SR3Y1 cells after 15 hr exposureMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed