Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50330330   

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))	BDBM50330330 (CHEMBL1276020 | Ethyl1-(3-(2-(1-ethoxy-1,3-dioxo-3...) Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)OCC)c1-c1ccccc1)C(=O)c1ccccc1 |w:6.6| Show InChI InChI=1S/C32H28N8O8S2/c1-3-47-29(43)23-24(28(42)34-31-37-38-32(49-31)50(33,45)46)39-40(26(23)19-12-7-5-8-13-19)22-17-11-16-21(18-22)35-36-25(30(44)48-4-2)27(41)20-14-9-6-10-15-20/h5-18,35H,3-4H2,1-2H3,(H2,33,45,46)(H,34,37,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330330 (CHEMBL1276020 | Ethyl1-(3-(2-(1-ethoxy-1,3-dioxo-3...) Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)OCC)c1-c1ccccc1)C(=O)c1ccccc1 |w:6.6| Show InChI InChI=1S/C32H28N8O8S2/c1-3-47-29(43)23-24(28(42)34-31-37-38-32(49-31)50(33,45)46)39-40(26(23)19-12-7-5-8-13-19)22-17-11-16-21(18-22)35-36-25(30(44)48-4-2)27(41)20-14-9-6-10-15-20/h5-18,35H,3-4H2,1-2H3,(H2,33,45,46)(H,34,37,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50330330 (CHEMBL1276020 | Ethyl1-(3-(2-(1-ethoxy-1,3-dioxo-3...) Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)OCC)c1-c1ccccc1)C(=O)c1ccccc1 |w:6.6| Show InChI InChI=1S/C32H28N8O8S2/c1-3-47-29(43)23-24(28(42)34-31-37-38-32(49-31)50(33,45)46)39-40(26(23)19-12-7-5-8-13-19)22-17-11-16-21(18-22)35-36-25(30(44)48-4-2)27(41)20-14-9-6-10-15-20/h5-18,35H,3-4H2,1-2H3,(H2,33,45,46)(H,34,37,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 hydratase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330330 (CHEMBL1276020 | Ethyl1-(3-(2-(1-ethoxy-1,3-dioxo-3...) Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)OCC)c1-c1ccccc1)C(=O)c1ccccc1 |w:6.6| Show InChI InChI=1S/C32H28N8O8S2/c1-3-47-29(43)23-24(28(42)34-31-37-38-32(49-31)50(33,45)46)39-40(26(23)19-12-7-5-8-13-19)22-17-11-16-21(18-22)35-36-25(30(44)48-4-2)27(41)20-14-9-6-10-15-20/h5-18,35H,3-4H2,1-2H3,(H2,33,45,46)(H,34,37,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 hydratase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair