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BDBM11626 β-CA inhibitor, 2::2-N-(4-amino-3-bromo-5-fluorobenzene)-1,3,4-thiadiazole-2,5-disulfonamide::5-{[(4-amino-3-bromo-5-fluorophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide::aminobenzolamide 19

SMILES: Nc1c(F)cc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O

InChI Key: InChIKey=KHBWKBINDOFBGN-UHFFFAOYSA-N

Data: 7 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 11626   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11626
PNG
(β-CA inhibitor, 2 | 2-N-(4-amino-3-bromo-5-fl...)
Show SMILES Nc1c(F)cc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7BrFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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Article
PubMed
0.200n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM11626
PNG
(β-CA inhibitor, 2 | 2-N-(4-amino-3-bromo-5-fl...)
Show SMILES Nc1c(F)cc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7BrFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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PubMed
1n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)

More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM11626
PNG
(β-CA inhibitor, 2 | 2-N-(4-amino-3-bromo-5-fl...)
Show SMILES Nc1c(F)cc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7BrFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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Article
PubMed
1.90n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM11626
PNG
(β-CA inhibitor, 2 | 2-N-(4-amino-3-bromo-5-fl...)
Show SMILES Nc1c(F)cc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7BrFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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Article
PubMed
27n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)

More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM11626
PNG
(β-CA inhibitor, 2 | 2-N-(4-amino-3-bromo-5-fl...)
Show SMILES Nc1c(F)cc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7BrFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
140 -9.34n/an/an/an/an/a8.325



UniversitÓ degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 384-7 (2013)

More data for this
Ligand-Target Pair
β-Carbonic anhydrase 3 (CA 3)


(Mycobacterium tuberculosis)
BDBM11626
PNG
(β-CA inhibitor, 2 | 2-N-(4-amino-3-bromo-5-fl...)
Show SMILES Nc1c(F)cc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7BrFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
270 -8.95n/an/an/an/an/a8.325



UniversitÓ degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 384-7 (2013)

More data for this
Ligand-Target Pair
β-Carbonic anhydrase 2 (CA 2)


(Mycobacterium tuberculosis)
BDBM11626
PNG
(β-CA inhibitor, 2 | 2-N-(4-amino-3-bromo-5-fl...)
Show SMILES Nc1c(F)cc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7BrFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
430 -8.68n/an/an/an/an/a8.325



UniversitÓ degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 384-7 (2013)

More data for this
Ligand-Target Pair