Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50125568   

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 2 (Homo sapiens (Human))	BDBM50125568 (CHEMBL3623646) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C39H39N3O6S2/c1-38(2)20-31-36(33(43)22-38)35(26-10-7-11-27(18-26)41-50(47,48)30-15-12-24-8-5-6-9-25(24)19-30)37-32(21-39(3,4)23-34(37)44)42(31)28-13-16-29(17-14-28)49(40,45)46/h5-19,35,41H,20-23H2,1-4H3,(H2,40,45,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50125568 (CHEMBL3623646) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C39H39N3O6S2/c1-38(2)20-31-36(33(43)22-38)35(26-10-7-11-27(18-26)41-50(47,48)30-15-12-24-8-5-6-9-25(24)19-30)37-32(21-39(3,4)23-34(37)44)42(31)28-13-16-29(17-14-28)49(40,45)46/h5-19,35,41H,20-23H2,1-4H3,(H2,40,45,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50125568 (CHEMBL3623646) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C39H39N3O6S2/c1-38(2)20-31-36(33(43)22-38)35(26-10-7-11-27(18-26)41-50(47,48)30-15-12-24-8-5-6-9-25(24)19-30)37-32(21-39(3,4)23-34(37)44)42(31)28-13-16-29(17-14-28)49(40,45)46/h5-19,35,41H,20-23H2,1-4H3,(H2,40,45,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50125568 (CHEMBL3623646) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C39H39N3O6S2/c1-38(2)20-31-36(33(43)22-38)35(26-10-7-11-27(18-26)41-50(47,48)30-15-12-24-8-5-6-9-25(24)19-30)37-32(21-39(3,4)23-34(37)44)42(31)28-13-16-29(17-14-28)49(40,45)46/h5-19,35,41H,20-23H2,1-4H3,(H2,40,45,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair