Found 5 hits for monomerid = 50344555 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50344555
(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)c1cccc(c1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C23H23N5O12S3/c1-37-19-13-15(8-10-20(29)38-11-2-3-12-39-28(31)32)7-9-18(19)40-21(30)16-5-4-6-17(14-16)43(35,36)27-22-25-26-23(41-22)42(24,33)34/h4-10,13-14H,2-3,11-12H2,1H3,(H,25,27)(H2,24,33,34)/b10-8+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description Inhibition of human CA2 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046 BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50344555
(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)c1cccc(c1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C23H23N5O12S3/c1-37-19-13-15(8-10-20(29)38-11-2-3-12-39-28(31)32)7-9-18(19)40-21(30)16-5-4-6-17(14-16)43(35,36)27-22-25-26-23(41-22)42(24,33)34/h4-10,13-14H,2-3,11-12H2,1H3,(H,25,27)(H2,24,33,34)/b10-8+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA12 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046 BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50344555
(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)c1cccc(c1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C23H23N5O12S3/c1-37-19-13-15(8-10-20(29)38-11-2-3-12-39-28(31)32)7-9-18(19)40-21(30)16-5-4-6-17(14-16)43(35,36)27-22-25-26-23(41-22)42(24,33)34/h4-10,13-14H,2-3,11-12H2,1H3,(H,25,27)(H2,24,33,34)/b10-8+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 137 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description Inhibition of human CA1 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046 BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50344555
(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)c1cccc(c1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C23H23N5O12S3/c1-37-19-13-15(8-10-20(29)38-11-2-3-12-39-28(31)32)7-9-18(19)40-21(30)16-5-4-6-17(14-16)43(35,36)27-22-25-26-23(41-22)42(24,33)34/h4-10,13-14H,2-3,11-12H2,1H3,(H,25,27)(H2,24,33,34)/b10-8+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 177 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA9 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046 BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50344555
(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)c1cccc(c1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C23H23N5O12S3/c1-37-19-13-15(8-10-20(29)38-11-2-3-12-39-28(31)32)7-9-18(19)40-21(30)16-5-4-6-17(14-16)43(35,36)27-22-25-26-23(41-22)42(24,33)34/h4-10,13-14H,2-3,11-12H2,1H3,(H,25,27)(H2,24,33,34)/b10-8+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 225 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description Inhibition of human CA4 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046 BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this Ligand-Target Pair | |