Found 4 hits for monomerid = 50190251 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 12
(Homo sapiens (Human)) | BDBM50190251
(4-chloro-2-({5-chloro-4-[(pyrrolidin-1-yl)carbonyl...)Show SMILES NS(=O)(=O)c1cc(C(=O)N2CCCC2)c(Cl)cc1SSc1cc(Cl)c(cc1S(N)(=O)=O)C(=O)N1CCCC1 Show InChI InChI=1S/C22H24Cl2N4O6S4/c23-15-11-17(19(37(25,31)32)9-13(15)21(29)27-5-1-2-6-27)35-36-18-12-16(24)14(10-20(18)38(26,33)34)22(30)28-7-3-4-8-28/h9-12H,1-8H2,(H2,25,31,32)(H2,26,33,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of Gdansk
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA12 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 16: 4846-51 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.064 BindingDB Entry DOI: 10.7270/Q2794493 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50190251
(4-chloro-2-({5-chloro-4-[(pyrrolidin-1-yl)carbonyl...)Show SMILES NS(=O)(=O)c1cc(C(=O)N2CCCC2)c(Cl)cc1SSc1cc(Cl)c(cc1S(N)(=O)=O)C(=O)N1CCCC1 Show InChI InChI=1S/C22H24Cl2N4O6S4/c23-15-11-17(19(37(25,31)32)9-13(15)21(29)27-5-1-2-6-27)35-36-18-12-16(24)14(10-20(18)38(26,33)34)22(30)28-7-3-4-8-28/h9-12H,1-8H2,(H2,25,31,32)(H2,26,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 766 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of Gdansk
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA9 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 16: 4846-51 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.064 BindingDB Entry DOI: 10.7270/Q2794493 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50190251
(4-chloro-2-({5-chloro-4-[(pyrrolidin-1-yl)carbonyl...)Show SMILES NS(=O)(=O)c1cc(C(=O)N2CCCC2)c(Cl)cc1SSc1cc(Cl)c(cc1S(N)(=O)=O)C(=O)N1CCCC1 Show InChI InChI=1S/C22H24Cl2N4O6S4/c23-15-11-17(19(37(25,31)32)9-13(15)21(29)27-5-1-2-6-27)35-36-18-12-16(24)14(10-20(18)38(26,33)34)22(30)28-7-3-4-8-28/h9-12H,1-8H2,(H2,25,31,32)(H2,26,33,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 4.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of Gdansk
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA2 by CO2 hydration assay |
Bioorg Med Chem Lett 16: 4846-51 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.064 BindingDB Entry DOI: 10.7270/Q2794493 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50190251
(4-chloro-2-({5-chloro-4-[(pyrrolidin-1-yl)carbonyl...)Show SMILES NS(=O)(=O)c1cc(C(=O)N2CCCC2)c(Cl)cc1SSc1cc(Cl)c(cc1S(N)(=O)=O)C(=O)N1CCCC1 Show InChI InChI=1S/C22H24Cl2N4O6S4/c23-15-11-17(19(37(25,31)32)9-13(15)21(29)27-5-1-2-6-27)35-36-18-12-16(24)14(10-20(18)38(26,33)34)22(30)28-7-3-4-8-28/h9-12H,1-8H2,(H2,25,31,32)(H2,26,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 2.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of Gdansk
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA1 by CO2 hydration assay |
Bioorg Med Chem Lett 16: 4846-51 (2006)
Article DOI: 10.1016/j.bmcl.2006.06.064 BindingDB Entry DOI: 10.7270/Q2794493 |
More data for this Ligand-Target Pair | |