Found 4 hits for monomerid = 50068115 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)) | BDBM50068115
(CHEMBL3402248)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)C1[C@H](C(=O)OCc2ccccc2)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl |r,t:30,TLB:15:14:27.29:33,THB:11:13:27.29:33,30:29:33:13.14,28:27:33:13.14| Show InChI InChI=1S/C23H17Cl6NO5S/c1-12-7-9-14(10-8-12)36(33,34)30-19(31)15-16(20(32)35-11-13-5-3-2-4-6-13)22(27)18(25)17(24)21(15,26)23(22,28)29/h2-10,15-16H,11H2,1H3,(H,30,31)/t15?,16-,21-,22-/m1/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
| 36 | 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)) | BDBM50068115
(CHEMBL3402248)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)C1[C@H](C(=O)OCc2ccccc2)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl |r,t:30,TLB:15:14:27.29:33,THB:11:13:27.29:33,30:29:33:13.14,28:27:33:13.14| Show InChI InChI=1S/C23H17Cl6NO5S/c1-12-7-9-14(10-8-12)36(33,34)30-19(31)15-16(20(32)35-11-13-5-3-2-4-6-13)22(27)18(25)17(24)21(15,26)23(22,28)29/h2-10,15-16H,11H2,1H3,(H,30,31)/t15?,16-,21-,22-/m1/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
| 48 | 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 2
(Homo sapiens (Human)) | BDBM50068115
(CHEMBL3402248)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)C1[C@H](C(=O)OCc2ccccc2)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl |r,t:30,TLB:15:14:27.29:33,THB:11:13:27.29:33,30:29:33:13.14,28:27:33:13.14| Show InChI InChI=1S/C23H17Cl6NO5S/c1-12-7-9-14(10-8-12)36(33,34)30-19(31)15-16(20(32)35-11-13-5-3-2-4-6-13)22(27)18(25)17(24)21(15,26)23(22,28)29/h2-10,15-16H,11H2,1H3,(H,30,31)/t15?,16-,21-,22-/m1/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 | 70 | 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 | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50068115
(CHEMBL3402248)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)C1[C@H](C(=O)OCc2ccccc2)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl |r,t:30,TLB:15:14:27.29:33,THB:11:13:27.29:33,30:29:33:13.14,28:27:33:13.14| Show InChI InChI=1S/C23H17Cl6NO5S/c1-12-7-9-14(10-8-12)36(33,34)30-19(31)15-16(20(32)35-11-13-5-3-2-4-6-13)22(27)18(25)17(24)21(15,26)23(22,28)29/h2-10,15-16H,11H2,1H3,(H,30,31)/t15?,16-,21-,22-/m1/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 | 90 | 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 | |