Compile Data Set for Download or QSAR

Found 12 hits of koff for monomerid = 50380140   

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 13 (Homo sapiens (Human))	BDBM50380140 (CHEMBL2011155 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-3-2-8(6-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	1.00E-8	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human N-terminal full length His-tagged CA13 (1 to 262 residues) expressed in Escherichia coli BL21(DE3) assessed as dissociation...				J Med Chem 61: 2292-2302 (2018) Article DOI: 10.1021/acs.jmedchem.7b01408 BindingDB Entry DOI: 10.7270/Q23T9KNS
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50380140 (CHEMBL2011155 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-3-2-8(6-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	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	n/a	n/a	n/a	0.0220	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to CA7 (unknown origin) assessed as dissociation rate constant at pH 7 by SPR assay				J Med Chem 61: 2292-2302 (2018) Article DOI: 10.1021/acs.jmedchem.7b01408 BindingDB Entry DOI: 10.7270/Q23T9KNS
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50380140 (CHEMBL2011155 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-3-2-8(6-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	0.0220	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA13 assessed as dissociation rate constant 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))	BDBM50380140 (CHEMBL2011155 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-3-2-8(6-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	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	n/a	n/a	n/a	0.0730	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA2 expressed in Escherichia coli assessed as dissociation rate constant after 30 secs by surface plasmon reson...				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				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50380140 (CHEMBL2011155 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-3-2-8(6-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	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	n/a	n/a	n/a	0.0730	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Displacement of binding of [3H]-BRL 43694 to 5-hydroxytryptamine 3 receptor in rat cerebral cortex				J Med Chem 61: 2292-2302 (2018) Article DOI: 10.1021/acs.jmedchem.7b01408 BindingDB Entry DOI: 10.7270/Q23T9KNS
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50380140 (CHEMBL2011155 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-3-2-8(6-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	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	n/a	n/a	n/a	0.150	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA7 assessed as dissociation rate constant 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))	BDBM50380140 (CHEMBL2011155 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-3-2-8(6-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	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	n/a	n/a	n/a	0.160	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation rate constant 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 9 (Homo sapiens (Human))	BDBM50380140 (CHEMBL2011155 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-3-2-8(6-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	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	n/a	n/a	n/a	0.400	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation rate constant 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 9 (Homo sapiens (Human))	BDBM50380140 (CHEMBL2011155 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-3-2-8(6-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	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	n/a	n/a	n/a	0.400	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human CA9 catalytic domain expressed in mammalian expression system assessed as dissociation rate constant at pH 7 by SPR assay				J Med Chem 61: 2292-2302 (2018) Article DOI: 10.1021/acs.jmedchem.7b01408 BindingDB Entry DOI: 10.7270/Q23T9KNS
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50380140 (CHEMBL2011155 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-3-2-8(6-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	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	n/a	n/a	n/a	0.430	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to human recombinant CA1 expressed in Escherichia coli assessed as dissociation rate constant after 30 secs by surface plasmon reson...				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 (Macaca mulatta)	BDBM50380140 (CHEMBL2011155 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-3-2-8(6-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	0.430	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to CA1 (unknown origin) assessed as dissociation rate constant at pH 7 by SPR assay				J Med Chem 61: 2292-2302 (2018) Article DOI: 10.1021/acs.jmedchem.7b01408 BindingDB Entry DOI: 10.7270/Q23T9KNS
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50380140 (CHEMBL2011155 | carbonic anhydrase (CA) inhibitors...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ncccn1 Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-3-2-8(6-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)	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	n/a	n/a	n/a	1.60	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to CA12 (unknown origin) assessed as dissociation rate constant at pH 7 by SPR assay				J Med Chem 61: 2292-2302 (2018) Article DOI: 10.1021/acs.jmedchem.7b01408 BindingDB Entry DOI: 10.7270/Q23T9KNS
					More data for this Ligand-Target Pair