Found 8 hits for monomerid = 50022089 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)) | BDBM50022089
(CHEMBL3298343)Show SMILES Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C17H13BrN4O2S/c18-12-3-1-11(2-4-12)16-10-22(17(20)15(16)9-19)13-5-7-14(8-6-13)25(21,23)24/h1-8,10H,20H2,(H2,21,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 22: 3684-95 (2014)
Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50022089
(CHEMBL3298343)Show SMILES Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C17H13BrN4O2S/c18-12-3-1-11(2-4-12)16-10-22(17(20)15(16)9-19)13-5-7-14(8-6-13)25(21,23)24/h1-8,10H,20H2,(H2,21,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay |
Eur J Med Chem 87: 186-96 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50022089
(CHEMBL3298343)Show SMILES Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C17H13BrN4O2S/c18-12-3-1-11(2-4-12)16-10-22(17(20)15(16)9-19)13-5-7-14(8-6-13)25(21,23)24/h1-8,10H,20H2,(H2,21,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay |
Eur J Med Chem 87: 186-96 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50022089
(CHEMBL3298343)Show SMILES Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C17H13BrN4O2S/c18-12-3-1-11(2-4-12)16-10-22(17(20)15(16)9-19)13-5-7-14(8-6-13)25(21,23)24/h1-8,10H,20H2,(H2,21,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 22: 3684-95 (2014)
Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50022089
(CHEMBL3298343)Show SMILES Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C17H13BrN4O2S/c18-12-3-1-11(2-4-12)16-10-22(17(20)15(16)9-19)13-5-7-14(8-6-13)25(21,23)24/h1-8,10H,20H2,(H2,21,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 22: 3684-95 (2014)
Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50022089
(CHEMBL3298343)Show SMILES Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C17H13BrN4O2S/c18-12-3-1-11(2-4-12)16-10-22(17(20)15(16)9-19)13-5-7-14(8-6-13)25(21,23)24/h1-8,10H,20H2,(H2,21,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay |
Eur J Med Chem 87: 186-96 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50022089
(CHEMBL3298343)Show SMILES Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C17H13BrN4O2S/c18-12-3-1-11(2-4-12)16-10-22(17(20)15(16)9-19)13-5-7-14(8-6-13)25(21,23)24/h1-8,10H,20H2,(H2,21,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay |
Eur J Med Chem 87: 186-96 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50022089
(CHEMBL3298343)Show SMILES Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C17H13BrN4O2S/c18-12-3-1-11(2-4-12)16-10-22(17(20)15(16)9-19)13-5-7-14(8-6-13)25(21,23)24/h1-8,10H,20H2,(H2,21,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 22: 3684-95 (2014)
Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ |
More data for this
Ligand-Target Pair | |
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