Found 4 hits for monomerid = 50068120 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 1
(Homo sapiens (Human)) | BDBM50068120
(CHEMBL3402253)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@@H]1[C@H](C(O)=O)[C@@]2(Cl)[C@@](O)(Cl)[C@](O)(Cl)[C@@]1(Cl)C2(Cl)Cl |r,TLB:15:14:20.23:28,21:20:28:13.14,THB:11:13:20.23:28,24:23:28:13.14| Show InChI InChI=1S/C16H13Cl6NO7S/c1-6-2-4-7(5-3-6)31(29,30)23-10(24)8-9(11(25)26)13(18)14(19,20)12(8,17)15(21,27)16(13,22)28/h2-5,8-9,27-28H,1H3,(H,23,24)(H,25,26)/t8-,9+,12-,13-,15-,16-/m0/s1 | 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
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Atat£rk University
Curated by ChEMBL
| Assay Description Inhibition of human CA-1 using p-nitro-phenylacetate as substrate by Lineweaver-Burk plot analysis |
Bioorg Med Chem 23: 2598-605 (2015)
Article DOI: 10.1016/j.bmc.2014.12.054 BindingDB Entry DOI: 10.7270/Q2959K7Q |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50068120
(CHEMBL3402253)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@@H]1[C@H](C(O)=O)[C@@]2(Cl)[C@@](O)(Cl)[C@](O)(Cl)[C@@]1(Cl)C2(Cl)Cl |r,TLB:15:14:20.23:28,21:20:28:13.14,THB:11:13:20.23:28,24:23:28:13.14| Show InChI InChI=1S/C16H13Cl6NO7S/c1-6-2-4-7(5-3-6)31(29,30)23-10(24)8-9(11(25)26)13(18)14(19,20)12(8,17)15(21,27)16(13,22)28/h2-5,8-9,27-28H,1H3,(H,23,24)(H,25,26)/t8-,9+,12-,13-,15-,16-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Atat£rk University
Curated by ChEMBL
| Assay Description Inhibition of human CA-2 using p-nitro-phenylacetate as substrate by Lineweaver-Burk plot analysis |
Bioorg Med Chem 23: 2598-605 (2015)
Article DOI: 10.1016/j.bmc.2014.12.054 BindingDB Entry DOI: 10.7270/Q2959K7Q |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50068120
(CHEMBL3402253)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@@H]1[C@H](C(O)=O)[C@@]2(Cl)[C@@](O)(Cl)[C@](O)(Cl)[C@@]1(Cl)C2(Cl)Cl |r,TLB:15:14:20.23:28,21:20:28:13.14,THB:11:13:20.23:28,24:23:28:13.14| Show InChI InChI=1S/C16H13Cl6NO7S/c1-6-2-4-7(5-3-6)31(29,30)23-10(24)8-9(11(25)26)13(18)14(19,20)12(8,17)15(21,27)16(13,22)28/h2-5,8-9,27-28H,1H3,(H,23,24)(H,25,26)/t8-,9+,12-,13-,15-,16-/m0/s1 | 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
| n/a | n/a | 171 | n/a | n/a | n/a | n/a | n/a | n/a |
Atat£rk University
Curated by ChEMBL
| Assay Description Inhibition of human CA-1 using p-nitro-phenylacetate as substrate after 3 mins by UV-Vis spectrophotometry |
Bioorg Med Chem 23: 2598-605 (2015)
Article DOI: 10.1016/j.bmc.2014.12.054 BindingDB Entry DOI: 10.7270/Q2959K7Q |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50068120
(CHEMBL3402253)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@@H]1[C@H](C(O)=O)[C@@]2(Cl)[C@@](O)(Cl)[C@](O)(Cl)[C@@]1(Cl)C2(Cl)Cl |r,TLB:15:14:20.23:28,21:20:28:13.14,THB:11:13:20.23:28,24:23:28:13.14| Show InChI InChI=1S/C16H13Cl6NO7S/c1-6-2-4-7(5-3-6)31(29,30)23-10(24)8-9(11(25)26)13(18)14(19,20)12(8,17)15(21,27)16(13,22)28/h2-5,8-9,27-28H,1H3,(H,23,24)(H,25,26)/t8-,9+,12-,13-,15-,16-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Atat£rk University
Curated by ChEMBL
| Assay Description Inhibition of human CA-2 using p-nitro-phenylacetate as substrate after 3 mins by UV-Vis spectrophotometry |
Bioorg Med Chem 23: 2598-605 (2015)
Article DOI: 10.1016/j.bmc.2014.12.054 BindingDB Entry DOI: 10.7270/Q2959K7Q |
More data for this Ligand-Target Pair | |