BDBM238307 [NiL2(H2O)2] (3)
SMILES: NS(=O)(=O)c1nnc(s1)N1C(=O)C2=[N](N(C(=C2C(=O)c2ccccc2)c2ccccc2)c2cccc(c2)[N+]([O-])=O)[Ni]11N(C(=O)C2=[N]1N(C(=C2C(=O)c1ccccc1)c1ccccc1)c1cccc(c1)[N+]([O-])=O)c1nnc(s1)S(N)(=O)=O
InChI Key: InChIKey=VKQPNYMCGWGUNA-UHFFFAOYSA-L
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 1 (Homo sapiens (Human)) | BDBM238307 ([NiL2(H2O)2] (3)) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University | Assay Description The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy... | J Enzyme Inhib Med Chem 28: 311-5 (2013) Article DOI: 10.3109/14756366.2012.712516 BindingDB Entry DOI: 10.7270/Q2QN65NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM238307 ([NiL2(H2O)2] (3)) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 175 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University | Assay Description The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy... | J Enzyme Inhib Med Chem 28: 311-5 (2013) Article DOI: 10.3109/14756366.2012.712516 BindingDB Entry DOI: 10.7270/Q2QN65NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM238307 ([NiL2(H2O)2] (3)) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 170 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Dumlupinar University | Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ... | J Enzyme Inhib Med Chem 28: 311-5 (2013) Article DOI: 10.3109/14756366.2012.712516 BindingDB Entry DOI: 10.7270/Q2QN65NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM238307 ([NiL2(H2O)2] (3)) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 62.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University | Assay Description Carbonic anhydrase activity was assayed by following the hydration of CO2 according to the method described by Wilbur and Anderson [Wilbur et al., J.... | J Enzyme Inhib Med Chem 28: 311-5 (2013) Article DOI: 10.3109/14756366.2012.712516 BindingDB Entry DOI: 10.7270/Q2QN65NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM238307 ([NiL2(H2O)2] (3)) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University | Assay Description Carbonic anhydrase activity was assayed by following the hydration of CO2 according to the method described by Wilbur and Anderson [Wilbur et al., J.... | J Enzyme Inhib Med Chem 28: 311-5 (2013) Article DOI: 10.3109/14756366.2012.712516 BindingDB Entry DOI: 10.7270/Q2QN65NJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM238307 ([NiL2(H2O)2] (3)) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 125 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Dumlupinar University | Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ... | J Enzyme Inhib Med Chem 28: 311-5 (2013) Article DOI: 10.3109/14756366.2012.712516 BindingDB Entry DOI: 10.7270/Q2QN65NJ | |||||||||||
More data for this Ligand-Target Pair |