Found 4 hits for monomerid = 50031576 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 9
(Homo sapiens (Human)) | BDBM50031576
(CHEMBL3359178)Show SMILES [Cl-].CN(C)c1ccc2c(-c3ccc(NC(=S)NCCCOc4ccc(cc4)S(N)(=O)=O)cc3C(O)=O)c3ccc(cc3oc2c1)=[N+](C)C |(15.58,,;11.4,-1.72,;10.07,-2.49,;10.07,-4.03,;8.74,-1.72,;7.4,-2.49,;6.07,-1.72,;6.07,-.18,;4.73,.59,;3.4,-.18,;2.07,.59,;.73,-.18,;.73,-1.72,;-.6,-2.49,;-1.93,-1.72,;-1.93,-.18,;-3.27,-2.49,;-4.6,-1.72,;-5.93,-2.49,;-7.27,-1.72,;-8.6,-2.49,;-9.94,-1.72,;-9.94,-.18,;-11.27,.59,;-12.6,-.18,;-12.6,-1.72,;-11.27,-2.49,;-13.94,.59,;-13.17,1.93,;-15.27,1.36,;-14.71,-.74,;2.07,-2.49,;3.4,-1.72,;4.73,-2.49,;4.73,-4.03,;6.27,-2.65,;4.73,2.13,;3.4,2.9,;3.4,4.44,;4.73,5.21,;6.07,4.44,;6.07,2.9,;7.4,2.13,;7.4,.59,;8.74,-.18,;4.73,6.75,;6.07,7.52,;3.4,7.52,)| Show InChI InChI=1S/C34H35N5O6S2/c1-38(2)22-7-14-27-30(19-22)45-31-20-23(39(3)4)8-15-28(31)32(27)26-13-6-21(18-29(26)33(40)41)37-34(46)36-16-5-17-44-24-9-11-25(12-10-24)47(35,42)43/h6-15,18-20H,5,16-17H2,1-4H3,(H4,35,36,40,41,42,43,46)/p+1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human CA-9 by stopped flow CO2 hydrase assay |
J Med Chem 57: 9673-86 (2014)
Article DOI: 10.1021/jm501497m BindingDB Entry DOI: 10.7270/Q2CR5W08 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50031576
(CHEMBL3359178)Show SMILES [Cl-].CN(C)c1ccc2c(-c3ccc(NC(=S)NCCCOc4ccc(cc4)S(N)(=O)=O)cc3C(O)=O)c3ccc(cc3oc2c1)=[N+](C)C |(15.58,,;11.4,-1.72,;10.07,-2.49,;10.07,-4.03,;8.74,-1.72,;7.4,-2.49,;6.07,-1.72,;6.07,-.18,;4.73,.59,;3.4,-.18,;2.07,.59,;.73,-.18,;.73,-1.72,;-.6,-2.49,;-1.93,-1.72,;-1.93,-.18,;-3.27,-2.49,;-4.6,-1.72,;-5.93,-2.49,;-7.27,-1.72,;-8.6,-2.49,;-9.94,-1.72,;-9.94,-.18,;-11.27,.59,;-12.6,-.18,;-12.6,-1.72,;-11.27,-2.49,;-13.94,.59,;-13.17,1.93,;-15.27,1.36,;-14.71,-.74,;2.07,-2.49,;3.4,-1.72,;4.73,-2.49,;4.73,-4.03,;6.27,-2.65,;4.73,2.13,;3.4,2.9,;3.4,4.44,;4.73,5.21,;6.07,4.44,;6.07,2.9,;7.4,2.13,;7.4,.59,;8.74,-.18,;4.73,6.75,;6.07,7.52,;3.4,7.52,)| Show InChI InChI=1S/C34H35N5O6S2/c1-38(2)22-7-14-27-30(19-22)45-31-20-23(39(3)4)8-15-28(31)32(27)26-13-6-21(18-29(26)33(40)41)37-34(46)36-16-5-17-44-24-9-11-25(12-10-24)47(35,42)43/h6-15,18-20H,5,16-17H2,1-4H3,(H4,35,36,40,41,42,43,46)/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human CA-12 by stopped flow CO2 hydrase assay |
J Med Chem 57: 9673-86 (2014)
Article DOI: 10.1021/jm501497m BindingDB Entry DOI: 10.7270/Q2CR5W08 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50031576
(CHEMBL3359178)Show SMILES [Cl-].CN(C)c1ccc2c(-c3ccc(NC(=S)NCCCOc4ccc(cc4)S(N)(=O)=O)cc3C(O)=O)c3ccc(cc3oc2c1)=[N+](C)C |(15.58,,;11.4,-1.72,;10.07,-2.49,;10.07,-4.03,;8.74,-1.72,;7.4,-2.49,;6.07,-1.72,;6.07,-.18,;4.73,.59,;3.4,-.18,;2.07,.59,;.73,-.18,;.73,-1.72,;-.6,-2.49,;-1.93,-1.72,;-1.93,-.18,;-3.27,-2.49,;-4.6,-1.72,;-5.93,-2.49,;-7.27,-1.72,;-8.6,-2.49,;-9.94,-1.72,;-9.94,-.18,;-11.27,.59,;-12.6,-.18,;-12.6,-1.72,;-11.27,-2.49,;-13.94,.59,;-13.17,1.93,;-15.27,1.36,;-14.71,-.74,;2.07,-2.49,;3.4,-1.72,;4.73,-2.49,;4.73,-4.03,;6.27,-2.65,;4.73,2.13,;3.4,2.9,;3.4,4.44,;4.73,5.21,;6.07,4.44,;6.07,2.9,;7.4,2.13,;7.4,.59,;8.74,-.18,;4.73,6.75,;6.07,7.52,;3.4,7.52,)| Show InChI InChI=1S/C34H35N5O6S2/c1-38(2)22-7-14-27-30(19-22)45-31-20-23(39(3)4)8-15-28(31)32(27)26-13-6-21(18-29(26)33(40)41)37-34(46)36-16-5-17-44-24-9-11-25(12-10-24)47(35,42)43/h6-15,18-20H,5,16-17H2,1-4H3,(H4,35,36,40,41,42,43,46)/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human CA-2 by stopped flow CO2 hydrase assay |
J Med Chem 57: 9673-86 (2014)
Article DOI: 10.1021/jm501497m BindingDB Entry DOI: 10.7270/Q2CR5W08 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50031576
(CHEMBL3359178)Show SMILES [Cl-].CN(C)c1ccc2c(-c3ccc(NC(=S)NCCCOc4ccc(cc4)S(N)(=O)=O)cc3C(O)=O)c3ccc(cc3oc2c1)=[N+](C)C |(15.58,,;11.4,-1.72,;10.07,-2.49,;10.07,-4.03,;8.74,-1.72,;7.4,-2.49,;6.07,-1.72,;6.07,-.18,;4.73,.59,;3.4,-.18,;2.07,.59,;.73,-.18,;.73,-1.72,;-.6,-2.49,;-1.93,-1.72,;-1.93,-.18,;-3.27,-2.49,;-4.6,-1.72,;-5.93,-2.49,;-7.27,-1.72,;-8.6,-2.49,;-9.94,-1.72,;-9.94,-.18,;-11.27,.59,;-12.6,-.18,;-12.6,-1.72,;-11.27,-2.49,;-13.94,.59,;-13.17,1.93,;-15.27,1.36,;-14.71,-.74,;2.07,-2.49,;3.4,-1.72,;4.73,-2.49,;4.73,-4.03,;6.27,-2.65,;4.73,2.13,;3.4,2.9,;3.4,4.44,;4.73,5.21,;6.07,4.44,;6.07,2.9,;7.4,2.13,;7.4,.59,;8.74,-.18,;4.73,6.75,;6.07,7.52,;3.4,7.52,)| Show InChI InChI=1S/C34H35N5O6S2/c1-38(2)22-7-14-27-30(19-22)45-31-20-23(39(3)4)8-15-28(31)32(27)26-13-6-21(18-29(26)33(40)41)37-34(46)36-16-5-17-44-24-9-11-25(12-10-24)47(35,42)43/h6-15,18-20H,5,16-17H2,1-4H3,(H4,35,36,40,41,42,43,46)/p+1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 151 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human CA-1 by stopped flow CO2 hydrase assay |
J Med Chem 57: 9673-86 (2014)
Article DOI: 10.1021/jm501497m BindingDB Entry DOI: 10.7270/Q2CR5W08 |
More data for this Ligand-Target Pair | |