Found 7 hits for monomerid = 50414250 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)) | BDBM50414250
(CHEMBL457077)Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1\C=C\c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 40 | -10.1 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration ass... |
Bioorg Med Chem 23: 7219-25 (2015)
BindingDB Entry DOI: 10.7270/Q2862J84 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50414250
(CHEMBL457077)Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1\C=C\c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 67 | -9.78 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa... |
Bioorg Med Chem 23: 7219-25 (2015)
BindingDB Entry DOI: 10.7270/Q2862J84 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50414250
(CHEMBL457077)Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1\C=C\c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 71 | -9.75 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa... |
Bioorg Med Chem 23: 7219-25 (2015)
BindingDB Entry DOI: 10.7270/Q2862J84 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50414250
(CHEMBL457077)Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1\C=C\c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| 9.59E+3 | -6.84 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa... |
Bioorg Med Chem 23: 7219-25 (2015)
BindingDB Entry DOI: 10.7270/Q2862J84 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50414250
(CHEMBL457077)Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1\C=C\c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Similars
| PubMed
| >1.00E+4 | >-6.82 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Aristotle University of Thessaloniki
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assa... |
Bioorg Med Chem 23: 7219-25 (2015)
BindingDB Entry DOI: 10.7270/Q2862J84 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50414250
(CHEMBL457077)Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1\C=C\c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
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CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Institute of Biochemistry
Curated by ChEMBL
| Assay Description Inhibition of LCK SH2 domain |
Bioorg Med Chem Lett 19: 3305-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.083 BindingDB Entry DOI: 10.7270/Q29P32WX |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50414250
(CHEMBL457077)Show SMILES OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1\C=C\c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Institute of Biochemistry
Curated by ChEMBL
| Assay Description Inhibition of c-SRC SH2 domain |
Bioorg Med Chem Lett 19: 3305-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.083 BindingDB Entry DOI: 10.7270/Q29P32WX |
More data for this Ligand-Target Pair | |