Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM238306'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM238306 ([CoL2(H2O)2].2H2O (2)) Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)C2=[N](N(C(=C2C(=O)c2ccccc2)c2ccccc2)c2cccc(c2)[N+]([O-])=O)[Co]11N(C(=O)C2=[N]1N(C(=C2C(=O)c1ccccc1)c1ccccc1)c1cccc(c1)[N+]([O-])=O)c1nnc(s1)S(N)(=O)=O |c:16,50,54,t:13| Show InChI InChI=1S/2C25H17N7O6S2.Co/c2*26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36;/h2*1-14H,(H3,26,27,28,34,37,38);/q;;+2/p-2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	280	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 1 (Homo sapiens (Human))	BDBM238306 ([CoL2(H2O)2].2H2O (2)) Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)C2=[N](N(C(=C2C(=O)c2ccccc2)c2ccccc2)c2cccc(c2)[N+]([O-])=O)[Co]11N(C(=O)C2=[N]1N(C(=C2C(=O)c1ccccc1)c1ccccc1)c1cccc(c1)[N+]([O-])=O)c1nnc(s1)S(N)(=O)=O |c:16,50,54,t:13| Show InChI InChI=1S/2C25H17N7O6S2.Co/c2*26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36;/h2*1-14H,(H3,26,27,28,34,37,38);/q;;+2/p-2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	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 1 (Homo sapiens (Human))	BDBM238306 ([CoL2(H2O)2].2H2O (2)) Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)C2=[N](N(C(=C2C(=O)c2ccccc2)c2ccccc2)c2cccc(c2)[N+]([O-])=O)[Co]11N(C(=O)C2=[N]1N(C(=C2C(=O)c1ccccc1)c1ccccc1)c1cccc(c1)[N+]([O-])=O)c1nnc(s1)S(N)(=O)=O |c:16,50,54,t:13| Show InChI InChI=1S/2C25H17N7O6S2.Co/c2*26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36;/h2*1-14H,(H3,26,27,28,34,37,38);/q;;+2/p-2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	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