BindingDB logo
myBDB logout

3 similar compounds to monomer 50396794

Compile data set for download or QSAR
Wt: 456.4
BDBM50396791
Wt: 442.4
BDBM50396792
Wt: 428.3
BDBM50396793

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50396791,50396792,50396793   
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 12


(Homo sapiens (Human))
BDBM50396791
PNG
(CHEMBL2172744)
Show SMILES OP(O)(=O)C(=O)NCCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H25N2O7PS/c22-19(29(23,24)25)20-14-6-1-2-7-15-21-30(26,27)18-12-10-17(11-13-18)28-16-8-4-3-5-9-16/h3-5,8-13,21H,1-2,6-7,14-15H2,(H,20,22)(H2,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50396793
PNG
(CHEMBL2170079)
Show SMILES OP(O)(=O)C(=O)NCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C17H21N2O7PS/c20-17(27(21,22)23)18-12-4-5-13-19-28(24,25)16-10-8-15(9-11-16)26-14-6-2-1-3-7-14/h1-3,6-11,19H,4-5,12-13H2,(H,18,20)(H2,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 measured every 5 mins for 3 hrs


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50396793
PNG
(CHEMBL2170079)
Show SMILES OP(O)(=O)C(=O)NCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C17H21N2O7PS/c20-17(27(21,22)23)18-12-4-5-13-19-28(24,25)16-10-8-15(9-11-16)26-14-6-2-1-3-7-14/h1-3,6-11,19H,4-5,12-13H2,(H,18,20)(H2,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50396791
PNG
(CHEMBL2172744)
Show SMILES OP(O)(=O)C(=O)NCCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H25N2O7PS/c22-19(29(23,24)25)20-14-6-1-2-7-15-21-30(26,27)18-12-10-17(11-13-18)28-16-8-4-3-5-9-16/h3-5,8-13,21H,1-2,6-7,14-15H2,(H,20,22)(H2,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50396792
PNG
(CHEMBL2170080)
Show SMILES OP(O)(=O)C(=O)NCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H23N2O7PS/c21-18(28(22,23)24)19-13-5-2-6-14-20-29(25,26)17-11-9-16(10-12-17)27-15-7-3-1-4-8-15/h1,3-4,7-12,20H,2,5-6,13-14H2,(H,19,21)(H2,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50396793
PNG
(CHEMBL2170079)
Show SMILES OP(O)(=O)C(=O)NCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C17H21N2O7PS/c20-17(27(21,22)23)18-12-4-5-13-19-28(24,25)16-10-8-15(9-11-16)26-14-6-2-1-3-7-14/h1-3,6-11,19H,4-5,12-13H2,(H,18,20)(H2,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50396791
PNG
(CHEMBL2172744)
Show SMILES OP(O)(=O)C(=O)NCCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H25N2O7PS/c22-19(29(23,24)25)20-14-6-1-2-7-15-21-30(26,27)18-12-10-17(11-13-18)28-16-8-4-3-5-9-16/h3-5,8-13,21H,1-2,6-7,14-15H2,(H,20,22)(H2,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50396792
PNG
(CHEMBL2170080)
Show SMILES OP(O)(=O)C(=O)NCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H23N2O7PS/c21-18(28(22,23)24)19-13-5-2-6-14-20-29(25,26)17-11-9-16(10-12-17)27-15-7-3-1-4-8-15/h1,3-4,7-12,20H,2,5-6,13-14H2,(H,19,21)(H2,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 310n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50396793
PNG
(CHEMBL2170079)
Show SMILES OP(O)(=O)C(=O)NCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C17H21N2O7PS/c20-17(27(21,22)23)18-12-4-5-13-19-28(24,25)16-10-8-15(9-11-16)26-14-6-2-1-3-7-14/h1-3,6-11,19H,4-5,12-13H2,(H,18,20)(H2,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50396791
PNG
(CHEMBL2172744)
Show SMILES OP(O)(=O)C(=O)NCCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H25N2O7PS/c22-19(29(23,24)25)20-14-6-1-2-7-15-21-30(26,27)18-12-10-17(11-13-18)28-16-8-4-3-5-9-16/h3-5,8-13,21H,1-2,6-7,14-15H2,(H,20,22)(H2,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50396792
PNG
(CHEMBL2170080)
Show SMILES OP(O)(=O)C(=O)NCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H23N2O7PS/c21-18(28(22,23)24)19-13-5-2-6-14-20-29(25,26)17-11-9-16(10-12-17)27-15-7-3-1-4-8-15/h1,3-4,7-12,20H,2,5-6,13-14H2,(H,19,21)(H2,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 520n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50396793
PNG
(CHEMBL2170079)
Show SMILES OP(O)(=O)C(=O)NCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C17H21N2O7PS/c20-17(27(21,22)23)18-12-4-5-13-19-28(24,25)16-10-8-15(9-11-16)26-14-6-2-1-3-7-14/h1-3,6-11,19H,4-5,12-13H2,(H,18,20)(H2,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 750n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50396791
PNG
(CHEMBL2172744)
Show SMILES OP(O)(=O)C(=O)NCCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H25N2O7PS/c22-19(29(23,24)25)20-14-6-1-2-7-15-21-30(26,27)18-12-10-17(11-13-18)28-16-8-4-3-5-9-16/h3-5,8-13,21H,1-2,6-7,14-15H2,(H,20,22)(H2,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 measured every 5 mins for 3 hrs


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50396792
PNG
(CHEMBL2170080)
Show SMILES OP(O)(=O)C(=O)NCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H23N2O7PS/c21-18(28(22,23)24)19-13-5-2-6-14-20-29(25,26)17-11-9-16(10-12-17)27-15-7-3-1-4-8-15/h1,3-4,7-12,20H,2,5-6,13-14H2,(H,19,21)(H2,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 measured every 5 mins for 3 hrs


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50396792
PNG
(CHEMBL2170080)
Show SMILES OP(O)(=O)C(=O)NCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H23N2O7PS/c21-18(28(22,23)24)19-13-5-2-6-14-20-29(25,26)17-11-9-16(10-12-17)27-15-7-3-1-4-8-15/h1,3-4,7-12,20H,2,5-6,13-14H2,(H,19,21)(H2,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair