Compile Data Set for Download or QSAR

Found 5 hits of ki for monomerid = 50349851   

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 14 (Homo sapiens (Human))	BDBM50349851 (CHEMBL1813211) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCCCO)n2)cc1 Show InChI InChI=1S/C13H17ClN6O3S/c14-11-18-12(16-7-1-2-8-21)20-13(19-11)17-9-3-5-10(6-4-9)24(15,22)23/h3-6,21H,1-2,7-8H2,(H2,15,22,23)(H2,16,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27.7	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 recombinant carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 19: 3105-19 (2011) Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50349851 (CHEMBL1813211) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCCCO)n2)cc1 Show InChI InChI=1S/C13H17ClN6O3S/c14-11-18-12(16-7-1-2-8-21)20-13(19-11)17-9-3-5-10(6-4-9)24(15,22)23/h3-6,21H,1-2,7-8H2,(H2,15,22,23)(H2,16,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34.8	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 recombinant carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 19: 3105-19 (2011) Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50349851 (CHEMBL1813211) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCCCO)n2)cc1 Show InChI InChI=1S/C13H17ClN6O3S/c14-11-18-12(16-7-1-2-8-21)20-13(19-11)17-9-3-5-10(6-4-9)24(15,22)23/h3-6,21H,1-2,7-8H2,(H2,15,22,23)(H2,16,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43.9	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 recombinant carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 19: 3105-19 (2011) Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50349851 (CHEMBL1813211) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCCCO)n2)cc1 Show InChI InChI=1S/C13H17ClN6O3S/c14-11-18-12(16-7-1-2-8-21)20-13(19-11)17-9-3-5-10(6-4-9)24(15,22)23/h3-6,21H,1-2,7-8H2,(H2,15,22,23)(H2,16,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	119	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 recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 19: 3105-19 (2011) Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50349851 (CHEMBL1813211) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCCCO)n2)cc1 Show InChI InChI=1S/C13H17ClN6O3S/c14-11-18-12(16-7-1-2-8-21)20-13(19-11)17-9-3-5-10(6-4-9)24(15,22)23/h3-6,21H,1-2,7-8H2,(H2,15,22,23)(H2,16,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.25E+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 recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 19: 3105-19 (2011) Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6
					More data for this Ligand-Target Pair