Compile Data Set for Download or QSAR

Found 15 hits of kd for monomerid = 50163859   

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 9 (Homo sapiens (Human))	BDBM50163859 (CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...) Show SMILES CCCSc1c(F)c(F)c(c(NC2CCCCCCC2)c1F)S(N)(=O)=O Show InChI InChI=1S/C17H25F3N2O2S2/c1-2-10-25-16-12(18)13(19)17(26(21,23)24)15(14(16)20)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA9 catalytic domain by fluorescence-based thermal shift assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50163859 (CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...) Show SMILES CCCSc1c(F)c(F)c(c(NC2CCCCCCC2)c1F)S(N)(=O)=O Show InChI InChI=1S/C17H25F3N2O2S2/c1-2-10-25-16-12(18)13(19)17(26(21,23)24)15(14(16)20)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	19	n/a	n/a	n/a	8.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation constant calculated from kinetic parameters at pH 8 by surface pl...				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50163859 (CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...) Show SMILES CCCSc1c(F)c(F)c(c(NC2CCCCCCC2)c1F)S(N)(=O)=O Show InChI InChI=1S/C17H25F3N2O2S2/c1-2-10-25-16-12(18)13(19)17(26(21,23)24)15(14(16)20)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA9 catalytic domain after 30 secs by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50163859 (CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...) Show SMILES CCCSc1c(F)c(F)c(c(NC2CCCCCCC2)c1F)S(N)(=O)=O Show InChI InChI=1S/C17H25F3N2O2S2/c1-2-10-25-16-12(18)13(19)17(26(21,23)24)15(14(16)20)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA13 by fluorescence-based thermal shift assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50163859 (CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...) Show SMILES CCCSc1c(F)c(F)c(c(NC2CCCCCCC2)c1F)S(N)(=O)=O Show InChI InChI=1S/C17H25F3N2O2S2/c1-2-10-25-16-12(18)13(19)17(26(21,23)24)15(14(16)20)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	46	n/a	n/a	n/a	7.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation constant calculated from kinetic parameters at pH 7 by surface pl...				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50163859 (CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...) Show SMILES CCCSc1c(F)c(F)c(c(NC2CCCCCCC2)c1F)S(N)(=O)=O Show InChI InChI=1S/C17H25F3N2O2S2/c1-2-10-25-16-12(18)13(19)17(26(21,23)24)15(14(16)20)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA7 by fluorescence-based thermal shift assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50163859 (CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...) Show SMILES CCCSc1c(F)c(F)c(c(NC2CCCCCCC2)c1F)S(N)(=O)=O Show InChI InChI=1S/C17H25F3N2O2S2/c1-2-10-25-16-12(18)13(19)17(26(21,23)24)15(14(16)20)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA12 catalytic domain by fluorescence-based thermal shift assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50163859 (CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...) Show SMILES CCCSc1c(F)c(F)c(c(NC2CCCCCCC2)c1F)S(N)(=O)=O Show InChI InChI=1S/C17H25F3N2O2S2/c1-2-10-25-16-12(18)13(19)17(26(21,23)24)15(14(16)20)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	140	n/a	n/a	n/a	6.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation constant calculated from kinetic parameters at pH 6 by surface pl...				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50163859 (CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...) Show SMILES CCCSc1c(F)c(F)c(c(NC2CCCCCCC2)c1F)S(N)(=O)=O Show InChI InChI=1S/C17H25F3N2O2S2/c1-2-10-25-16-12(18)13(19)17(26(21,23)24)15(14(16)20)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	390	n/a	n/a	n/a	8.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation constant calculated from saturation signal at pH 8 by surface pl...				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50163859 (CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...) Show SMILES CCCSc1c(F)c(F)c(c(NC2CCCCCCC2)c1F)S(N)(=O)=O Show InChI InChI=1S/C17H25F3N2O2S2/c1-2-10-25-16-12(18)13(19)17(26(21,23)24)15(14(16)20)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA12 catalytic domain after 30 secs by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50163859 (CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...) Show SMILES CCCSc1c(F)c(F)c(c(NC2CCCCCCC2)c1F)S(N)(=O)=O Show InChI InChI=1S/C17H25F3N2O2S2/c1-2-10-25-16-12(18)13(19)17(26(21,23)24)15(14(16)20)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA2 expressed in Escherichia coli by fluorescence-based thermal shift assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50163859 (CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...) Show SMILES CCCSc1c(F)c(F)c(c(NC2CCCCCCC2)c1F)S(N)(=O)=O Show InChI InChI=1S/C17H25F3N2O2S2/c1-2-10-25-16-12(18)13(19)17(26(21,23)24)15(14(16)20)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA7 after 30 secs by surface plasmon resonance assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50163859 (CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...) Show SMILES CCCSc1c(F)c(F)c(c(NC2CCCCCCC2)c1F)S(N)(=O)=O Show InChI InChI=1S/C17H25F3N2O2S2/c1-2-10-25-16-12(18)13(19)17(26(21,23)24)15(14(16)20)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	840	n/a	n/a	n/a	7.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation constant calculated from saturation signal at pH 7 by surface pl...				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50163859 (CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...) Show SMILES CCCSc1c(F)c(F)c(c(NC2CCCCCCC2)c1F)S(N)(=O)=O Show InChI InChI=1S/C17H25F3N2O2S2/c1-2-10-25-16-12(18)13(19)17(26(21,23)24)15(14(16)20)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	6.0	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation constant calculated from saturation signal at pH 6 by surface pl...				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50163859 (CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...) Show SMILES CCCSc1c(F)c(F)c(c(NC2CCCCCCC2)c1F)S(N)(=O)=O Show InChI InChI=1S/C17H25F3N2O2S2/c1-2-10-25-16-12(18)13(19)17(26(21,23)24)15(14(16)20)22-11-8-6-4-3-5-7-9-11/h11,22H,2-10H2,1H3,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA1 expressed in Escherichia coli by fluorescence-based thermal shift assay				J Med Chem 59: 2083-93 (2016) Article DOI: 10.1021/acs.jmedchem.5b01723 BindingDB Entry DOI: 10.7270/Q2571DWK
					More data for this Ligand-Target Pair