Found 5 hits for monomerid = 50500057 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)) | BDBM50500057
(CHEMBL3740484)Show SMILES [Cl-].CN(C)c1ccc2c(-c3ccc(NC(=S)NCc4cn(nn4)-c4cccc(c4)S(N)(=O)=O)cc3C(O)=O)c3ccc(cc3oc2c1)=[N+](C)C |(9.24,9.1,;-5.33,-2.78,;-5.33,-1.54,;-6.4,-.93,;-4,-.77,;-4,.77,;-2.67,1.54,;-1.33,.77,;,1.54,;0,3.08,;-1.33,3.85,;-1.33,5.39,;0,6.16,;-0,7.7,;-1.34,8.47,;-2.4,7.85,;-1.34,10.01,;-2.68,10.78,;-2.68,12.32,;-3.93,13.2,;-3.45,14.67,;-1.91,14.67,;-1.44,13.2,;-4.36,15.91,;-5.9,15.86,;-6.7,17.17,;-5.98,18.53,;-4.44,18.58,;-3.63,17.27,;-3.71,19.93,;-3.12,21.02,;-4.35,20.98,;-2.47,19.97,;1.34,5.39,;1.34,3.85,;2.67,3.09,;2.68,2.06,;3.74,3.7,;1.31,.77,;2.67,1.54,;4,.77,;4,-.77,;2.67,-1.54,;1.31,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;5.34,-1.54,;5.34,-2.77,;6.4,-.92,)| Show InChI InChI=1S/C34H32N8O5S2/c1-40(2)22-9-12-27-30(16-22)47-31-17-23(41(3)4)10-13-28(31)32(27)26-11-8-20(14-29(26)33(43)44)37-34(48)36-18-21-19-42(39-38-21)24-6-5-7-25(15-24)49(35,45)46/h5-17,19H,18H2,1-4H3,(H4,35,36,43,44,45,46,48)/p+1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | 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 carbonic anhydrase-12 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50500057
(CHEMBL3740484)Show SMILES [Cl-].CN(C)c1ccc2c(-c3ccc(NC(=S)NCc4cn(nn4)-c4cccc(c4)S(N)(=O)=O)cc3C(O)=O)c3ccc(cc3oc2c1)=[N+](C)C |(9.24,9.1,;-5.33,-2.78,;-5.33,-1.54,;-6.4,-.93,;-4,-.77,;-4,.77,;-2.67,1.54,;-1.33,.77,;,1.54,;0,3.08,;-1.33,3.85,;-1.33,5.39,;0,6.16,;-0,7.7,;-1.34,8.47,;-2.4,7.85,;-1.34,10.01,;-2.68,10.78,;-2.68,12.32,;-3.93,13.2,;-3.45,14.67,;-1.91,14.67,;-1.44,13.2,;-4.36,15.91,;-5.9,15.86,;-6.7,17.17,;-5.98,18.53,;-4.44,18.58,;-3.63,17.27,;-3.71,19.93,;-3.12,21.02,;-4.35,20.98,;-2.47,19.97,;1.34,5.39,;1.34,3.85,;2.67,3.09,;2.68,2.06,;3.74,3.7,;1.31,.77,;2.67,1.54,;4,.77,;4,-.77,;2.67,-1.54,;1.31,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;5.34,-1.54,;5.34,-2.77,;6.4,-.92,)| Show InChI InChI=1S/C34H32N8O5S2/c1-40(2)22-9-12-27-30(16-22)47-31-17-23(41(3)4)10-13-28(31)32(27)26-11-8-20(14-29(26)33(43)44)37-34(48)36-18-21-19-42(39-38-21)24-6-5-7-25(15-24)49(35,45)46/h5-17,19H,18H2,1-4H3,(H4,35,36,43,44,45,46,48)/p+1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 24 | 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 carbonic anhydrase-9 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50500057
(CHEMBL3740484)Show SMILES [Cl-].CN(C)c1ccc2c(-c3ccc(NC(=S)NCc4cn(nn4)-c4cccc(c4)S(N)(=O)=O)cc3C(O)=O)c3ccc(cc3oc2c1)=[N+](C)C |(9.24,9.1,;-5.33,-2.78,;-5.33,-1.54,;-6.4,-.93,;-4,-.77,;-4,.77,;-2.67,1.54,;-1.33,.77,;,1.54,;0,3.08,;-1.33,3.85,;-1.33,5.39,;0,6.16,;-0,7.7,;-1.34,8.47,;-2.4,7.85,;-1.34,10.01,;-2.68,10.78,;-2.68,12.32,;-3.93,13.2,;-3.45,14.67,;-1.91,14.67,;-1.44,13.2,;-4.36,15.91,;-5.9,15.86,;-6.7,17.17,;-5.98,18.53,;-4.44,18.58,;-3.63,17.27,;-3.71,19.93,;-3.12,21.02,;-4.35,20.98,;-2.47,19.97,;1.34,5.39,;1.34,3.85,;2.67,3.09,;2.68,2.06,;3.74,3.7,;1.31,.77,;2.67,1.54,;4,.77,;4,-.77,;2.67,-1.54,;1.31,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;5.34,-1.54,;5.34,-2.77,;6.4,-.92,)| Show InChI InChI=1S/C34H32N8O5S2/c1-40(2)22-9-12-27-30(16-22)47-31-17-23(41(3)4)10-13-28(31)32(27)26-11-8-20(14-29(26)33(43)44)37-34(48)36-18-21-19-42(39-38-21)24-6-5-7-25(15-24)49(35,45)46/h5-17,19H,18H2,1-4H3,(H4,35,36,43,44,45,46,48)/p+1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 31 | 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 carbonic anhydrase-14 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50500057
(CHEMBL3740484)Show SMILES [Cl-].CN(C)c1ccc2c(-c3ccc(NC(=S)NCc4cn(nn4)-c4cccc(c4)S(N)(=O)=O)cc3C(O)=O)c3ccc(cc3oc2c1)=[N+](C)C |(9.24,9.1,;-5.33,-2.78,;-5.33,-1.54,;-6.4,-.93,;-4,-.77,;-4,.77,;-2.67,1.54,;-1.33,.77,;,1.54,;0,3.08,;-1.33,3.85,;-1.33,5.39,;0,6.16,;-0,7.7,;-1.34,8.47,;-2.4,7.85,;-1.34,10.01,;-2.68,10.78,;-2.68,12.32,;-3.93,13.2,;-3.45,14.67,;-1.91,14.67,;-1.44,13.2,;-4.36,15.91,;-5.9,15.86,;-6.7,17.17,;-5.98,18.53,;-4.44,18.58,;-3.63,17.27,;-3.71,19.93,;-3.12,21.02,;-4.35,20.98,;-2.47,19.97,;1.34,5.39,;1.34,3.85,;2.67,3.09,;2.68,2.06,;3.74,3.7,;1.31,.77,;2.67,1.54,;4,.77,;4,-.77,;2.67,-1.54,;1.31,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;5.34,-1.54,;5.34,-2.77,;6.4,-.92,)| Show InChI InChI=1S/C34H32N8O5S2/c1-40(2)22-9-12-27-30(16-22)47-31-17-23(41(3)4)10-13-28(31)32(27)26-11-8-20(14-29(26)33(43)44)37-34(48)36-18-21-19-42(39-38-21)24-6-5-7-25(15-24)49(35,45)46/h5-17,19H,18H2,1-4H3,(H4,35,36,43,44,45,46,48)/p+1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 88 | 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 carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50500057
(CHEMBL3740484)Show SMILES [Cl-].CN(C)c1ccc2c(-c3ccc(NC(=S)NCc4cn(nn4)-c4cccc(c4)S(N)(=O)=O)cc3C(O)=O)c3ccc(cc3oc2c1)=[N+](C)C |(9.24,9.1,;-5.33,-2.78,;-5.33,-1.54,;-6.4,-.93,;-4,-.77,;-4,.77,;-2.67,1.54,;-1.33,.77,;,1.54,;0,3.08,;-1.33,3.85,;-1.33,5.39,;0,6.16,;-0,7.7,;-1.34,8.47,;-2.4,7.85,;-1.34,10.01,;-2.68,10.78,;-2.68,12.32,;-3.93,13.2,;-3.45,14.67,;-1.91,14.67,;-1.44,13.2,;-4.36,15.91,;-5.9,15.86,;-6.7,17.17,;-5.98,18.53,;-4.44,18.58,;-3.63,17.27,;-3.71,19.93,;-3.12,21.02,;-4.35,20.98,;-2.47,19.97,;1.34,5.39,;1.34,3.85,;2.67,3.09,;2.68,2.06,;3.74,3.7,;1.31,.77,;2.67,1.54,;4,.77,;4,-.77,;2.67,-1.54,;1.31,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;5.34,-1.54,;5.34,-2.77,;6.4,-.92,)| Show InChI InChI=1S/C34H32N8O5S2/c1-40(2)22-9-12-27-30(16-22)47-31-17-23(41(3)4)10-13-28(31)32(27)26-11-8-20(14-29(26)33(43)44)37-34(48)36-18-21-19-42(39-38-21)24-6-5-7-25(15-24)49(35,45)46/h5-17,19H,18H2,1-4H3,(H4,35,36,43,44,45,46,48)/p+1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.43E+3 | 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 carbonic anhydrase-1 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031
BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this
Ligand-Target Pair | |
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