Found 4 hits for monomerid = 50031535 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 2
(Homo sapiens (Human)) | BDBM50031535
(CHEMBL3359175)Show SMILES NS(=O)(=O)c1ccc(OCCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(5.03,-15.71,;5.03,-17.25,;4.25,-18.58,;3.48,-17.24,;6.36,-18.02,;6.36,-19.57,;7.7,-20.34,;9.04,-19.57,;10.37,-20.34,;11.71,-19.57,;13.05,-20.34,;14.38,-19.57,;15.72,-20.34,;15.75,-21.88,;17.1,-22.63,;14.42,-22.68,;14.45,-24.22,;13.13,-25.02,;13.16,-26.56,;14.5,-27.3,;15.83,-26.51,;15.8,-24.97,;17.18,-27.26,;18.5,-26.47,;15.82,-27.99,;14.52,-28.84,;13.21,-29.63,;11.86,-28.89,;10.55,-29.69,;10.58,-31.22,;9.27,-32.01,;11.92,-31.97,;13.24,-31.17,;14.58,-31.91,;15.9,-31.12,;17.24,-31.86,;18.55,-31.07,;19.9,-31.82,;18.52,-29.53,;17.2,-28.8,;15.86,-29.59,;9.03,-18.02,;7.7,-17.25,)| Show InChI InChI=1S/C30H25N3O8S2/c31-43(38,39)21-7-5-20(6-8-21)40-13-1-12-32-30(42)33-17-2-9-22(25(14-17)29(36)37)28-23-10-3-18(34)15-26(23)41-27-16-19(35)4-11-24(27)28/h2-11,14-16,34H,1,12-13H2,(H,36,37)(H2,31,38,39)(H2,32,33,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.60 | 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 12
(Homo sapiens (Human)) | BDBM50031535
(CHEMBL3359175)Show SMILES NS(=O)(=O)c1ccc(OCCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(5.03,-15.71,;5.03,-17.25,;4.25,-18.58,;3.48,-17.24,;6.36,-18.02,;6.36,-19.57,;7.7,-20.34,;9.04,-19.57,;10.37,-20.34,;11.71,-19.57,;13.05,-20.34,;14.38,-19.57,;15.72,-20.34,;15.75,-21.88,;17.1,-22.63,;14.42,-22.68,;14.45,-24.22,;13.13,-25.02,;13.16,-26.56,;14.5,-27.3,;15.83,-26.51,;15.8,-24.97,;17.18,-27.26,;18.5,-26.47,;15.82,-27.99,;14.52,-28.84,;13.21,-29.63,;11.86,-28.89,;10.55,-29.69,;10.58,-31.22,;9.27,-32.01,;11.92,-31.97,;13.24,-31.17,;14.58,-31.91,;15.9,-31.12,;17.24,-31.86,;18.55,-31.07,;19.9,-31.82,;18.52,-29.53,;17.2,-28.8,;15.86,-29.59,;9.03,-18.02,;7.7,-17.25,)| Show InChI InChI=1S/C30H25N3O8S2/c31-43(38,39)21-7-5-20(6-8-21)40-13-1-12-32-30(42)33-17-2-9-22(25(14-17)29(36)37)28-23-10-3-18(34)15-26(23)41-27-16-19(35)4-11-24(27)28/h2-11,14-16,34H,1,12-13H2,(H,36,37)(H2,31,38,39)(H2,32,33,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.70 | 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 9
(Homo sapiens (Human)) | BDBM50031535
(CHEMBL3359175)Show SMILES NS(=O)(=O)c1ccc(OCCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(5.03,-15.71,;5.03,-17.25,;4.25,-18.58,;3.48,-17.24,;6.36,-18.02,;6.36,-19.57,;7.7,-20.34,;9.04,-19.57,;10.37,-20.34,;11.71,-19.57,;13.05,-20.34,;14.38,-19.57,;15.72,-20.34,;15.75,-21.88,;17.1,-22.63,;14.42,-22.68,;14.45,-24.22,;13.13,-25.02,;13.16,-26.56,;14.5,-27.3,;15.83,-26.51,;15.8,-24.97,;17.18,-27.26,;18.5,-26.47,;15.82,-27.99,;14.52,-28.84,;13.21,-29.63,;11.86,-28.89,;10.55,-29.69,;10.58,-31.22,;9.27,-32.01,;11.92,-31.97,;13.24,-31.17,;14.58,-31.91,;15.9,-31.12,;17.24,-31.86,;18.55,-31.07,;19.9,-31.82,;18.52,-29.53,;17.2,-28.8,;15.86,-29.59,;9.03,-18.02,;7.7,-17.25,)| Show InChI InChI=1S/C30H25N3O8S2/c31-43(38,39)21-7-5-20(6-8-21)40-13-1-12-32-30(42)33-17-2-9-22(25(14-17)29(36)37)28-23-10-3-18(34)15-26(23)41-27-16-19(35)4-11-24(27)28/h2-11,14-16,34H,1,12-13H2,(H,36,37)(H2,31,38,39)(H2,32,33,42) | 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
| 7.20 | 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 1
(Homo sapiens (Human)) | BDBM50031535
(CHEMBL3359175)Show SMILES NS(=O)(=O)c1ccc(OCCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |(5.03,-15.71,;5.03,-17.25,;4.25,-18.58,;3.48,-17.24,;6.36,-18.02,;6.36,-19.57,;7.7,-20.34,;9.04,-19.57,;10.37,-20.34,;11.71,-19.57,;13.05,-20.34,;14.38,-19.57,;15.72,-20.34,;15.75,-21.88,;17.1,-22.63,;14.42,-22.68,;14.45,-24.22,;13.13,-25.02,;13.16,-26.56,;14.5,-27.3,;15.83,-26.51,;15.8,-24.97,;17.18,-27.26,;18.5,-26.47,;15.82,-27.99,;14.52,-28.84,;13.21,-29.63,;11.86,-28.89,;10.55,-29.69,;10.58,-31.22,;9.27,-32.01,;11.92,-31.97,;13.24,-31.17,;14.58,-31.91,;15.9,-31.12,;17.24,-31.86,;18.55,-31.07,;19.9,-31.82,;18.52,-29.53,;17.2,-28.8,;15.86,-29.59,;9.03,-18.02,;7.7,-17.25,)| Show InChI InChI=1S/C30H25N3O8S2/c31-43(38,39)21-7-5-20(6-8-21)40-13-1-12-32-30(42)33-17-2-9-22(25(14-17)29(36)37)28-23-10-3-18(34)15-26(23)41-27-16-19(35)4-11-24(27)28/h2-11,14-16,34H,1,12-13H2,(H,36,37)(H2,31,38,39)(H2,32,33,42) | 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
| 17 | 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 | |
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