BDBM50449828 CHEMBL4174214

SMILES CCCCNC(=O)c1cc(c(Cl)cc1NC1CCCCC1)S(N)(=O)=O

InChI Key InChIKey=WVNMCWQJUJCKNS-UHFFFAOYSA-N

Data  20 Kd

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50449828   

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL

LigandBDBM50449828(CHEMBL4174214)Copy SMILESCopy InChI

Affinity DataKd:  0.800nMAssay Description:Binding affinity to recombinant full-length human carbonic anhydrase 2 expressed in Escherichia coli assessed as intrinsic Kd in presence of ANS by f...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMed
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TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL

LigandBDBM50449828(CHEMBL4174214)Copy SMILESCopy InChI

Affinity DataKd:  130nMAssay Description:Binding affinity to recombinant C-terminal His6-tagged full-length human carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3) strain assess...More data for this Ligand-Target Pair

Target InfoReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMed
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TargetCarbonic anhydrase 7(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL

LigandBDBM50449828(CHEMBL4174214)Copy SMILESCopy InChI

Affinity DataKd:  1.67E+4nMAssay Description:Binding affinity to recombinant N-terminal His-tagged human carbonic anhydrase 7 (3 to 264 residues) expressed in Escherichia coli BL21 (DE3) strain ...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMed
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TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL

LigandBDBM50449828(CHEMBL4174214)Copy SMILESCopy InChI

Affinity DataKd:  1.30E+3nMAssay Description:Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 5B (40 to 317 residues) expressed in Escherichia coli Rosetta 2 (DE3)...More data for this Ligand-Target Pair

Target InfoReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMed
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TargetCarbonic anhydrase 6(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL

LigandBDBM50449828(CHEMBL4174214)Copy SMILESCopy InChI

Affinity DataKd:  1.67E+4nMAssay Description:Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 6 (21 to 290 residues) expressed in Escherichia coli Rosetta 2 (DE3) ...More data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMed
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TargetCarbonic anhydrase 12(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL

LigandBDBM50449828(CHEMBL4174214)Copy SMILESCopy InChI

Affinity DataKd:  7.70nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 12 (30 to 291 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain assessed as int...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetCarbonic anhydrase 14(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL

LigandBDBM50449828(CHEMBL4174214)Copy SMILESCopy InChI

Affinity DataKd:  0.110nMAssay Description:Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 14 (20 to 280 residues) expressed in Escherichia coli Rosetta2 (DE3) ...More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMed
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TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL

LigandBDBM50449828(CHEMBL4174214)Copy SMILESCopy InChI

Affinity DataKd:  0.0110nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 9 (38 to 414 residues) expressed in 293-F cells assessed as intrinsic Kd in presence of ANS ...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMed
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TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL

LigandBDBM50449828(CHEMBL4174214)Copy SMILESCopy InChI

Affinity DataKd:  1.20nMAssay Description:Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 5B (40 to 317 residues) expressed in Escherichia coli Rosetta 2 (DE3)...More data for this Ligand-Target Pair

Target InfoReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMed
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TargetCarbonic anhydrase 3(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL

LigandBDBM50449828(CHEMBL4174214)Copy SMILESCopy InChI

Affinity DataKd:  2.00E+5nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain in presence of ANS by ...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetCarbonic anhydrase 7(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL

LigandBDBM50449828(CHEMBL4174214)Copy SMILESCopy InChI

Affinity DataKd:  13nMAssay Description:Binding affinity to recombinant N-terminal His-tagged human carbonic anhydrase 7 (3 to 264 residues) expressed in Escherichia coli BL21 (DE3) strain ...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL

LigandBDBM50449828(CHEMBL4174214)Copy SMILESCopy InChI

Affinity DataKd:  1.00E+5nMAssay Description:Binding affinity to recombinant C-terminal His6-tagged full-length human carbonic anhydrase 5A expressed in Escherichia coli BL21 (DE3) strain in pre...More data for this Ligand-Target Pair

Target InfoReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetCarbonic anhydrase 12(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL

LigandBDBM50449828(CHEMBL4174214)Copy SMILESCopy InChI

Affinity DataKd:  1.00E+4nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 12 (30 to 291 residues) expressed in Escherichia coli Rosetta 2 (DE3) strain in presence of ...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL

LigandBDBM50449828(CHEMBL4174214)Copy SMILESCopy InChI

Affinity DataKd:  20nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 9 (38 to 414 residues) expressed in 293-F cells in presence of ANS by fluorescent thermal sh...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL

LigandBDBM50449828(CHEMBL4174214)Copy SMILESCopy InChI

Affinity DataKd:  909nMAssay Description:Binding affinity to recombinant full-length human carbonic anhydrase 2 expressed in Escherichia coli in presence of ANS by fluorescent thermal shift ...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetCarbonic anhydrase 6(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL

LigandBDBM50449828(CHEMBL4174214)Copy SMILESCopy InChI

Affinity DataKd:  3nMAssay Description:Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 6 (21 to 290 residues) expressed in Escherichia coli Rosetta 2 (DE3) ...More data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetCarbonic anhydrase 14(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL

LigandBDBM50449828(CHEMBL4174214)Copy SMILESCopy InChI

Affinity DataKd:  143nMAssay Description:Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 14 (20 to 280 residues) expressed in Escherichia coli Rosetta2 (DE3) ...More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetCarbonic anhydrase 1(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL

LigandBDBM50449828(CHEMBL4174214)Copy SMILESCopy InChI

Affinity DataKd:  370nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli assessed as intrinsic Kd in presence of ANS by fluorescent t...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetCarbonic anhydrase 3(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL

LigandBDBM50449828(CHEMBL4174214)Copy SMILESCopy InChI

Affinity DataKd:  96nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) strain assessed as intrinsic ...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetCarbonic anhydrase 1(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL

LigandBDBM50449828(CHEMBL4174214)Copy SMILESCopy InChI

Affinity DataKd:  2.00E+5nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 1 expressed in Escherichia coli in presence of ANS by fluorescent thermal shift assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMed
Copy BDB DOI