BindingDB logo
myBDB logout

17 similar compounds to monomer 87063

Compile data set for download or QSAR
Wt: 342.4
BDBM82103
Wt: 554.7
BDBM50114172
Wt: 538.7
BDBM87061
Purchase
Wt: 554.7
BDBM87062
Purchase
Wt: 696.8
BDBM87064
Purchase
Wt: 609.8
BDBM50114213
Wt: 554.7
BDBM50114178
Wt: 625.8
BDBM50114147
Wt: 625.8
BDBM50114180
Wt: 538.7
BDBM50114118
Wt: 641.8
BDBM50114129
Wt: 564.7
BDBM50114184
Wt: 625.8
BDBM50114161
Wt: 570.7
BDBM50114230
Wt: 554.7
BDBM50114167
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 48 hits for monomerid = 82103,50114172,87061,87062,87064,50114213,50114178,50114147,50114180,50114118,50114129,50114184,50114161,50114230,50114167   
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 7


(Homo sapiens (Human))
BDBM82103
PNG
(Investigational agent, 4)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
0.5 -12.5n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114184
PNG
((R)-4-((8S,10S,12S,14R,15R,17S)-10,13-Dimethyl-3,7...)
Show SMILES C[C@H](CCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1CC3=O
Show InChI InChI=1S/C26H36N4O6S2/c1-13(4-7-21(34)28-23-29-30-24(37-23)38(27,35)36)16-5-6-17-22-18(12-20(33)26(16,17)3)25(2)9-8-15(31)10-14(25)11-19(22)32/h13-14,16-18,22H,4-12H2,1-3H3,(H2,27,35,36)(H,28,29,34)/t13-,14+,16-,17+,18+,22+,25+,26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114178
PNG
((R)-4-((5S,6R,8S,9R,10S,11S,14S,17R)-3,7,12-Trihyd...)
Show SMILES C[C@H](CCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C26H42N4O5S2/c1-14(4-7-21(33)28-23-29-30-24(36-23)37(27,34)35)17-5-6-18-22-19(9-11-26(17,18)3)25(2)10-8-16(31)12-15(25)13-20(22)32/h14-20,22,31-32H,4-13H2,1-3H3,(H2,27,34,35)(H,28,29,33)/t14-,15+,16-,17-,18+,19+,20+,22+,25+,26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM82103
PNG
(Investigational agent, 4)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
0.900 -12.1n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114129
PNG
(4-((6R,7S,8S,10R,11S,12S,14S,15R)-3,12-Di(R)-hydro...)
Show SMILES C[C@H](CCC(=O)NCCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C29H47N5O7S2/c1-15(4-7-23(38)31-11-9-24(39)32-26-33-34-27(42-26)43(30,40)41)18-5-6-19-25-20(14-22(37)29(18,19)3)28(2)10-8-17(35)12-16(28)13-21(25)36/h15-22,25,35-37H,4-14H2,1-3H3,(H,31,38)(H2,30,40,41)(H,32,33,39)/t15-,16+,17-,18-,19+,20+,21-,22+,25+,28+,29-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114147
PNG
((R)-4-((5S,6R,8S,9S,12S,14R,17S)-7-Hydroxy-3-(R)-h...)
Show SMILES C[C@H](CCC(=O)NCCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C29H47N5O6S2/c1-16(4-7-23(37)31-13-10-24(38)32-26-33-34-27(41-26)42(30,39)40)19-5-6-20-25-21(9-12-29(19,20)3)28(2)11-8-18(35)14-17(28)15-22(25)36/h16-22,25,35-36H,4-15H2,1-3H3,(H,31,37)(H2,30,39,40)(H,32,33,38)/t16-,17+,18-,19-,20+,21+,22+,25+,28+,29-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114161
PNG
((R)-4-((5S,6R,8S,9S,12R,14R,17S)-7-Hydroxy-3-(R)-h...)
Show SMILES C[C@H](CCC(=O)NCCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C29H47N5O6S2/c1-16(4-7-23(37)31-13-10-24(38)32-26-33-34-27(41-26)42(30,39)40)19-5-6-20-25-21(9-12-29(19,20)3)28(2)11-8-18(35)14-17(28)15-22(25)36/h16-22,25,35-36H,4-15H2,1-3H3,(H,31,37)(H2,30,39,40)(H,32,33,38)/t16-,17+,18-,19-,20+,21+,22-,25+,28+,29-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114180
PNG
((1R,2R,5R)-4-((1R,5S,8S,10R,11S,12S)-3,12-Dihydrox...)
Show SMILES C[C@H](CCC(=O)NCCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C29H47N5O6S2/c1-16(4-9-24(37)31-13-11-25(38)32-26-33-34-27(41-26)42(30,39)40)20-7-8-21-19-6-5-17-14-18(35)10-12-28(17,2)22(19)15-23(36)29(20,21)3/h16-23,35-36H,4-15H2,1-3H3,(H,31,37)(H2,30,39,40)(H,32,33,38)/t16-,17-,18-,19+,20-,21+,22+,23+,28+,29-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114213
PNG
((1R,5R)-4-((5S,8S,9R,11R,17S)-3-Hydroxy-10-methyl-...)
Show SMILES C[C@H](CCC(=O)NCCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C29H47N5O5S2/c1-17(4-9-24(36)31-15-12-25(37)32-26-33-34-27(40-26)41(30,38)39)21-7-8-22-20-6-5-18-16-19(35)10-13-28(18,2)23(20)11-14-29(21,22)3/h17-23,35H,4-16H2,1-3H3,(H,31,36)(H2,30,38,39)(H,32,33,37)/t17-,18-,19-,20+,21-,22+,23+,28+,29-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM82103
PNG
(Investigational agent, 4)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
4.90 -11.1n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50114184
PNG
((R)-4-((8S,10S,12S,14R,15R,17S)-10,13-Dimethyl-3,7...)
Show SMILES C[C@H](CCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1CC3=O
Show InChI InChI=1S/C26H36N4O6S2/c1-13(4-7-21(34)28-23-29-30-24(37-23)38(27,35)36)16-5-6-17-22-18(12-20(33)26(16,17)3)25(2)9-8-15(31)10-14(25)11-19(22)32/h13-14,16-18,22H,4-12H2,1-3H3,(H2,27,35,36)(H,28,29,34)/t13-,14+,16-,17+,18+,22+,25+,26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), obtained from bovine lung microsomes


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM82103
PNG
(Investigational agent, 4)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
10 -10.7n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114118
PNG
((1R,2R)-4-((8S,9S,12R,14R,17S)-3-(R)-Hydroxy-10,13...)
Show SMILES C[C@H](CCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C26H42N4O4S2/c1-15(4-9-22(32)28-23-29-30-24(35-23)36(27,33)34)19-7-8-20-18-6-5-16-14-17(31)10-12-25(16,2)21(18)11-13-26(19,20)3/h15-21,31H,4-14H2,1-3H3,(H2,27,33,34)(H,28,29,32)/t15-,16-,17-,18+,19-,20+,21+,25+,26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50114147
PNG
((R)-4-((5S,6R,8S,9S,12S,14R,17S)-7-Hydroxy-3-(R)-h...)
Show SMILES C[C@H](CCC(=O)NCCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C29H47N5O6S2/c1-16(4-7-23(37)31-13-10-24(38)32-26-33-34-27(41-26)42(30,39)40)19-5-6-20-25-21(9-12-29(19,20)3)28(2)11-8-18(35)14-17(28)15-22(25)36/h16-22,25,35-36H,4-15H2,1-3H3,(H,31,37)(H2,30,39,40)(H,32,33,38)/t16-,17+,18-,19-,20+,21+,22+,25+,28+,29-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), obtained from bovine lung microsomes


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM82103
PNG
(Investigational agent, 4)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
13 -10.6n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50114178
PNG
((R)-4-((5S,6R,8S,9R,10S,11S,14S,17R)-3,7,12-Trihyd...)
Show SMILES C[C@H](CCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C26H42N4O5S2/c1-14(4-7-21(33)28-23-29-30-24(36-23)37(27,34)35)17-5-6-18-22-19(9-11-26(17,18)3)25(2)10-8-16(31)12-15(25)13-20(22)32/h14-20,22,31-32H,4-13H2,1-3H3,(H2,27,34,35)(H,28,29,33)/t14-,15+,16-,17-,18+,19+,20+,22+,25+,26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), obtained from bovine lung microsomes


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50114213
PNG
((1R,5R)-4-((5S,8S,9R,11R,17S)-3-Hydroxy-10-methyl-...)
Show SMILES C[C@H](CCC(=O)NCCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C29H47N5O5S2/c1-17(4-9-24(36)31-15-12-25(37)32-26-33-34-27(40-26)41(30,38)39)21-7-8-22-20-6-5-18-16-19(35)10-13-28(18,2)23(20)11-14-29(21,22)3/h17-23,35H,4-16H2,1-3H3,(H,31,36)(H2,30,38,39)(H,32,33,37)/t17-,18-,19-,20+,21-,22+,23+,28+,29-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
19n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), obtained from bovine lung microsomes


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50114118
PNG
((1R,2R)-4-((8S,9S,12R,14R,17S)-3-(R)-Hydroxy-10,13...)
Show SMILES C[C@H](CCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C26H42N4O4S2/c1-15(4-9-22(32)28-23-29-30-24(35-23)36(27,33)34)19-7-8-20-18-6-5-16-14-17(31)10-12-25(16,2)21(18)11-13-26(19,20)3/h15-21,31H,4-14H2,1-3H3,(H2,27,33,34)(H,28,29,32)/t15-,16-,17-,18+,19-,20+,21+,25+,26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
28n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), obtained from bovine lung microsomes


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50114180
PNG
((1R,2R,5R)-4-((1R,5S,8S,10R,11S,12S)-3,12-Dihydrox...)
Show SMILES C[C@H](CCC(=O)NCCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C29H47N5O6S2/c1-16(4-9-24(37)31-13-11-25(38)32-26-33-34-27(41-26)42(30,39)40)20-7-8-21-19-6-5-17-14-18(35)10-12-28(17,2)22(19)15-23(36)29(20,21)3/h16-23,35-36H,4-15H2,1-3H3,(H,31,37)(H2,30,39,40)(H,32,33,38)/t16-,17-,18-,19+,20-,21+,22+,23+,28+,29-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), obtained from bovine lung microsomes


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50114129
PNG
(4-((6R,7S,8S,10R,11S,12S,14S,15R)-3,12-Di(R)-hydro...)
Show SMILES C[C@H](CCC(=O)NCCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C29H47N5O7S2/c1-15(4-7-23(38)31-11-9-24(39)32-26-33-34-27(42-26)43(30,40)41)18-5-6-19-25-20(14-22(37)29(18,19)3)28(2)10-8-17(35)12-16(28)13-21(25)36/h15-22,25,35-37H,4-14H2,1-3H3,(H,31,38)(H2,30,40,41)(H,32,33,39)/t15-,16+,17-,18-,19+,20+,21-,22+,25+,28+,29-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
31n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), obtained from bovine lung microsomes


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM82103
PNG
(Investigational agent, 4)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
34 -10.0n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM82103
PNG
(Investigational agent, 4)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
34 -10.0n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50114184
PNG
((R)-4-((8S,10S,12S,14R,15R,17S)-10,13-Dimethyl-3,7...)
Show SMILES C[C@H](CCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1CC3=O
Show InChI InChI=1S/C26H36N4O6S2/c1-13(4-7-21(34)28-23-29-30-24(37-23)38(27,35)36)16-5-6-17-22-18(12-20(33)26(16,17)3)25(2)9-8-15(31)10-14(25)11-19(22)32/h13-14,16-18,22H,4-12H2,1-3H3,(H2,27,35,36)(H,28,29,34)/t13-,14+,16-,17+,18+,22+,25+,26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
41n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase I (CA1)


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50114161
PNG
((R)-4-((5S,6R,8S,9S,12R,14R,17S)-7-Hydroxy-3-(R)-h...)
Show SMILES C[C@H](CCC(=O)NCCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C29H47N5O6S2/c1-16(4-7-23(37)31-13-10-24(38)32-26-33-34-27(41-26)42(30,39)40)19-5-6-20-25-21(9-12-29(19,20)3)28(2)11-8-18(35)14-17(28)15-22(25)36/h16-22,25,35-36H,4-15H2,1-3H3,(H,31,37)(H2,30,39,40)(H,32,33,38)/t16-,17+,18-,19-,20+,21+,22-,25+,28+,29-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
45n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), obtained from bovine lung microsomes


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM82103
PNG
(Investigational agent, 4)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
46 -9.83n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50114178
PNG
((R)-4-((5S,6R,8S,9R,10S,11S,14S,17R)-3,7,12-Trihyd...)
Show SMILES C[C@H](CCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C26H42N4O5S2/c1-14(4-7-21(33)28-23-29-30-24(36-23)37(27,34)35)17-5-6-18-22-19(9-11-26(17,18)3)25(2)10-8-16(31)12-15(25)13-20(22)32/h14-20,22,31-32H,4-13H2,1-3H3,(H2,27,34,35)(H,28,29,33)/t14-,15+,16-,17-,18+,19+,20+,22+,25+,26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
48n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase I (CA1)


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114230
PNG
((R)-4-((5S,6R,8S,9S,12S,14R,17S)-7-Hydroxy-3-(R)-h...)
Show SMILES C[C@H](CCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C26H42N4O6S2/c1-13(4-7-21(34)28-23-29-30-24(37-23)38(27,35)36)16-5-6-17-22-18(12-20(33)26(16,17)3)25(2)9-8-15(31)10-14(25)11-19(22)32/h13-20,22,31-33H,4-12H2,1-3H3,(H2,27,35,36)(H,28,29,34)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,25+,26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114167
PNG
((R)-4-((8S,10S,12S,14R,15R,17S)-3,12-Di(R)-hydroxy...)
Show SMILES C[C@H](CCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C26H42N4O5S2/c1-14(4-9-22(33)28-23-29-30-24(36-23)37(27,34)35)18-7-8-19-17-6-5-15-12-16(31)10-11-25(15,2)20(17)13-21(32)26(18,19)3/h14-21,31-32H,4-13H2,1-3H3,(H2,27,34,35)(H,28,29,33)/t14-,15-,16-,17+,18-,19+,20+,21+,25+,26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114172
PNG
((R)-4-((5S,6R,8S,9S,12R,14R,17S)-7-Hydroxy-3-(R)-h...)
Show SMILES C[C@H](CCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C26H42N4O5S2/c1-14(4-7-21(33)28-23-29-30-24(36-23)37(27,34)35)17-5-6-18-22-19(9-11-26(17,18)3)25(2)10-8-16(31)12-15(25)13-20(22)32/h14-20,22,31-32H,4-13H2,1-3H3,(H2,27,34,35)(H,28,29,33)/t14-,15+,16-,17-,18+,19+,20-,22+,25+,26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
52n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM82103
PNG
(Investigational agent, 4)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
56 -9.72n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM82103
PNG
(Investigational agent, 4)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
78 -9.53n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50114147
PNG
((R)-4-((5S,6R,8S,9S,12S,14R,17S)-7-Hydroxy-3-(R)-h...)
Show SMILES C[C@H](CCC(=O)NCCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C29H47N5O6S2/c1-16(4-7-23(37)31-13-10-24(38)32-26-33-34-27(41-26)42(30,39)40)19-5-6-20-25-21(9-12-29(19,20)3)28(2)11-8-18(35)14-17(28)15-22(25)36/h16-22,25,35-36H,4-15H2,1-3H3,(H,31,37)(H2,30,39,40)(H,32,33,38)/t16-,17+,18-,19-,20+,21+,22+,25+,28+,29-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
98n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase I (CA1)


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50114167
PNG
((R)-4-((8S,10S,12S,14R,15R,17S)-3,12-Di(R)-hydroxy...)
Show SMILES C[C@H](CCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C26H42N4O5S2/c1-14(4-9-22(33)28-23-29-30-24(36-23)37(27,34)35)18-7-8-19-17-6-5-15-12-16(31)10-11-25(15,2)20(17)13-21(32)26(18,19)3/h14-21,31-32H,4-13H2,1-3H3,(H2,27,34,35)(H,28,29,33)/t14-,15-,16-,17+,18-,19+,20+,21+,25+,26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
130n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), obtained from bovine lung microsomes


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50114213
PNG
((1R,5R)-4-((5S,8S,9R,11R,17S)-3-Hydroxy-10-methyl-...)
Show SMILES C[C@H](CCC(=O)NCCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C29H47N5O5S2/c1-17(4-9-24(36)31-15-12-25(37)32-26-33-34-27(40-26)41(30,38)39)21-7-8-22-20-6-5-18-16-19(35)10-13-28(18,2)23(20)11-14-29(21,22)3/h17-23,35H,4-16H2,1-3H3,(H,31,36)(H2,30,38,39)(H,32,33,37)/t17-,18-,19-,20+,21-,22+,23+,28+,29-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase I (CA1)


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50114167
PNG
((R)-4-((8S,10S,12S,14R,15R,17S)-3,12-Di(R)-hydroxy...)
Show SMILES C[C@H](CCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C26H42N4O5S2/c1-14(4-9-22(33)28-23-29-30-24(36-23)37(27,34)35)18-7-8-19-17-6-5-15-12-16(31)10-11-25(15,2)20(17)13-21(32)26(18,19)3/h14-21,31-32H,4-13H2,1-3H3,(H2,27,34,35)(H,28,29,33)/t14-,15-,16-,17+,18-,19+,20+,21+,25+,26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase I (CA1)


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50114180
PNG
((1R,2R,5R)-4-((1R,5S,8S,10R,11S,12S)-3,12-Dihydrox...)
Show SMILES C[C@H](CCC(=O)NCCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C29H47N5O6S2/c1-16(4-9-24(37)31-13-11-25(38)32-26-33-34-27(41-26)42(30,39)40)20-7-8-21-19-6-5-17-14-18(35)10-12-28(17,2)22(19)15-23(36)29(20,21)3/h16-23,35-36H,4-15H2,1-3H3,(H,31,37)(H2,30,39,40)(H,32,33,38)/t16-,17-,18-,19+,20-,21+,22+,23+,28+,29-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase I (CA1)


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50114230
PNG
((R)-4-((5S,6R,8S,9S,12S,14R,17S)-7-Hydroxy-3-(R)-h...)
Show SMILES C[C@H](CCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C26H42N4O6S2/c1-13(4-7-21(34)28-23-29-30-24(37-23)38(27,35)36)16-5-6-17-22-18(12-20(33)26(16,17)3)25(2)9-8-15(31)10-14(25)11-19(22)32/h13-20,22,31-33H,4-12H2,1-3H3,(H2,27,35,36)(H,28,29,34)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,25+,26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
205n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), obtained from bovine lung microsomes


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50114118
PNG
((1R,2R)-4-((8S,9S,12R,14R,17S)-3-(R)-Hydroxy-10,13...)
Show SMILES C[C@H](CCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C26H42N4O4S2/c1-15(4-9-22(32)28-23-29-30-24(35-23)36(27,33)34)19-7-8-20-18-6-5-16-14-17(31)10-12-25(16,2)21(18)11-13-26(19,20)3/h15-21,31H,4-14H2,1-3H3,(H2,27,33,34)(H,28,29,32)/t15-,16-,17-,18+,19-,20+,21+,25+,26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
210n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase I (CA1)


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50114172
PNG
((R)-4-((5S,6R,8S,9S,12R,14R,17S)-7-Hydroxy-3-(R)-h...)
Show SMILES C[C@H](CCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C26H42N4O5S2/c1-14(4-7-21(33)28-23-29-30-24(36-23)37(27,34)35)17-5-6-18-22-19(9-11-26(17,18)3)25(2)10-8-16(31)12-15(25)13-20(22)32/h14-20,22,31-32H,4-13H2,1-3H3,(H2,27,34,35)(H,28,29,33)/t14-,15+,16-,17-,18+,19+,20-,22+,25+,26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
240n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), obtained from bovine lung microsomes


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50114129
PNG
(4-((6R,7S,8S,10R,11S,12S,14S,15R)-3,12-Di(R)-hydro...)
Show SMILES C[C@H](CCC(=O)NCCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C29H47N5O7S2/c1-15(4-7-23(38)31-11-9-24(39)32-26-33-34-27(42-26)43(30,40)41)18-5-6-19-25-20(14-22(37)29(18,19)3)28(2)10-8-17(35)12-16(28)13-21(25)36/h15-22,25,35-37H,4-14H2,1-3H3,(H,31,38)(H2,30,40,41)(H,32,33,39)/t15-,16+,17-,18-,19+,20+,21-,22+,25+,28+,29-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
250n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase I (CA1)


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50114161
PNG
((R)-4-((5S,6R,8S,9S,12R,14R,17S)-7-Hydroxy-3-(R)-h...)
Show SMILES C[C@H](CCC(=O)NCCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C29H47N5O6S2/c1-16(4-7-23(37)31-13-10-24(38)32-26-33-34-27(41-26)42(30,39)40)19-5-6-20-25-21(9-12-29(19,20)3)28(2)11-8-18(35)14-17(28)15-22(25)36/h16-22,25,35-36H,4-15H2,1-3H3,(H,31,37)(H2,30,39,40)(H,32,33,38)/t16-,17+,18-,19-,20+,21+,22-,25+,28+,29-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
268n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase I (CA1)


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50114172
PNG
((R)-4-((5S,6R,8S,9S,12R,14R,17S)-7-Hydroxy-3-(R)-h...)
Show SMILES C[C@H](CCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C26H42N4O5S2/c1-14(4-7-21(33)28-23-29-30-24(36-23)37(27,34)35)17-5-6-18-22-19(9-11-26(17,18)3)25(2)10-8-16(31)12-15(25)13-20(22)32/h14-20,22,31-32H,4-13H2,1-3H3,(H2,27,34,35)(H,28,29,33)/t14-,15+,16-,17-,18+,19+,20-,22+,25+,26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
410n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase I (CA1)


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50114230
PNG
((R)-4-((5S,6R,8S,9S,12S,14R,17S)-7-Hydroxy-3-(R)-h...)
Show SMILES C[C@H](CCC(=O)Nc1nnc(s1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C26H42N4O6S2/c1-13(4-7-21(34)28-23-29-30-24(37-23)38(27,35)36)16-5-6-17-22-18(12-20(33)26(16,17)3)25(2)9-8-15(31)10-14(25)11-19(22)32/h13-20,22,31-33H,4-12H2,1-3H3,(H2,27,35,36)(H,28,29,34)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,25+,26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
420n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase I (CA1)


Bioorg Med Chem Lett 12: 1551-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00252-4
BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM82103
PNG
(Investigational agent, 4)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
850 -8.14n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD)


(Homo sapiens (Human))
BDBM87064
PNG
(Sulfonamide derivative, 5)
Show SMILES CC(CCC(=O)Nc1nnc(s1)S(N)(=O)=O)C1CCC2C3C(CC4CC(CCC4(C)C3CC(OC(C)=O)C12C)OC(C)=O)OC(C)=O
Show InChI InChI=1S/C32H48N4O9S2/c1-16(7-10-27(40)34-29-35-36-30(46-29)47(33,41)42)22-8-9-23-28-24(15-26(32(22,23)6)45-19(4)39)31(5)12-11-21(43-17(2)37)13-20(31)14-25(28)44-18(3)38/h16,20-26,28H,7-15H2,1-6H3,(H2,33,41,42)(H,34,35,40)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
4.20E+3n/a 2.53E+3n/an/an/an/an/an/a



Dumlupinar University



Assay Description
The enzyme activities in the absence of drugs or chemicals were taken as 100%. For each drug or chemical, an activity%-(drug) graph was drawn and dr...


J Enzyme Inhib Med Chem 23: 418-23 (2008)


Article DOI: 10.1080/14756360701546413
BindingDB Entry DOI: 10.7270/Q2F18XBP
More data for this
Ligand-Target Pair
Glutathione oxidoreductase (GR)


(Escherichia coli)
BDBM87062
PNG
(Sulfonamide derivative, 2)
Show SMILES CC(CCC(=O)Nc1nnc(s1)S(N)(=O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
Show InChI InChI=1S/C26H42N4O5S2/c1-14(4-7-21(33)28-23-29-30-24(36-23)37(27,34)35)17-5-6-18-22-19(9-11-26(17,18)3)25(2)10-8-16(31)12-15(25)13-20(22)32/h14-20,22,31-32H,4-13H2,1-3H3,(H2,27,34,35)(H,28,29,33)
PDB
MMDB

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
6.10E+3n/a 4.50E+3n/an/an/an/an/an/a



Dumlupinar University



Assay Description
The enzyme activities in the absence of drugs or chemicals were taken as 100%. For each drug or chemical, an activity%-(drug) graph was drawn and dr...


J Enzyme Inhib Med Chem 23: 418-23 (2008)


Article DOI: 10.1080/14756360701546413
BindingDB Entry DOI: 10.7270/Q2F18XBP
More data for this
Ligand-Target Pair
Glutathione oxidoreductase (GR)


(Escherichia coli)
BDBM87061
PNG
(Sulfonamide derivative, 1)
Show SMILES CC(CCC(=O)Nc1nnc(s1)S(N)(=O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
Show InChI InChI=1S/C26H42N4O4S2/c1-15(4-9-22(32)28-23-29-30-24(35-23)36(27,33)34)19-7-8-20-18-6-5-16-14-17(31)10-12-25(16,2)21(18)11-13-26(19,20)3/h15-21,31H,4-14H2,1-3H3,(H2,27,33,34)(H,28,29,32)
PDB
MMDB

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
7.23E+4n/a 4.71E+4n/an/an/an/an/an/a



Dumlupinar University



Assay Description
The enzyme activities in the absence of drugs or chemicals were taken as 100%. For each drug or chemical, an activity%-(drug) graph was drawn and dr...


J Enzyme Inhib Med Chem 23: 418-23 (2008)


Article DOI: 10.1080/14756360701546413
BindingDB Entry DOI: 10.7270/Q2F18XBP
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM82103
PNG
(Investigational agent, 4)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1
Show InChI InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
3.10E+5 -4.70n/an/an/an/an/a7.520



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...


Chem Biol Drug Des 74: 317-21 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00857.x
BindingDB Entry DOI: 10.7270/Q2833QHP
More data for this
Ligand-Target Pair