Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for entry = 50015951   

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))	BDBM50131862 (CHEMBL122938 | methylphosphonic acid) Show SMILES CP(O)(O)=O Show InChI InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Binding affinity towards human cytosolic carbonic anhydrase II				Bioorg Med Chem Lett 15: 1683-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.049 BindingDB Entry DOI: 10.7270/Q2NC60PJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50162814 (CHEMBL179801 | Phenyl-phosphonic acid) Show SMILES OP(O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Binding affinity towards human cytosolic carbonic anhydrase II				Bioorg Med Chem Lett 15: 1683-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.049 BindingDB Entry DOI: 10.7270/Q2NC60PJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50162814 (CHEMBL179801 | Phenyl-phosphonic acid) Show SMILES OP(O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Binding affinity towards human membrane associated carbonic anhydrase IV				Bioorg Med Chem Lett 15: 1683-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.049 BindingDB Entry DOI: 10.7270/Q2NC60PJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50162819 (CHEMBL369105 | Carbamyl phosphate | aminocarbonyl ...) Show SMILES NC(=O)OP(O)(O)=O Show InChI InChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Binding affinity towards human membrane associated carbonic anhydrase IV				Bioorg Med Chem Lett 15: 1683-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.049 BindingDB Entry DOI: 10.7270/Q2NC60PJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50162814 (CHEMBL179801 | Phenyl-phosphonic acid) Show SMILES OP(O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Binding affinity towards recombinant human mitochondrial carbonic anhydrase V				Bioorg Med Chem Lett 15: 1683-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.049 BindingDB Entry DOI: 10.7270/Q2NC60PJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50131862 (CHEMBL122938 | methylphosphonic acid) Show SMILES CP(O)(O)=O Show InChI InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Binding affinity towards recombinant human mitochondrial carbonic anhydrase V				Bioorg Med Chem Lett 15: 1683-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.049 BindingDB Entry DOI: 10.7270/Q2NC60PJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50131862 (CHEMBL122938 | methylphosphonic acid) Show SMILES CP(O)(O)=O Show InChI InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	3.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Binding affinity towards human membrane associated carbonic anhydrase IV				Bioorg Med Chem Lett 15: 1683-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.049 BindingDB Entry DOI: 10.7270/Q2NC60PJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50162816 (CHEMBL180570 | Medronic acid | Methylene diphsphon...) Show SMILES OP(O)(=O)CP(O)(O)=O Show InChI InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Binding affinity towards recombinant human mitochondrial carbonic anhydrase V				Bioorg Med Chem Lett 15: 1683-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.049 BindingDB Entry DOI: 10.7270/Q2NC60PJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50011181 ((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...) Show SMILES OC(=O)P(O)(O)=O Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Binding affinity towards human membrane associated carbonic anhydrase IV				Bioorg Med Chem Lett 15: 1683-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.049 BindingDB Entry DOI: 10.7270/Q2NC60PJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50162817 (2-Amino-3-phosphonooxy-butyric acid | CHEMBL369507) Show SMILES CC(OP(O)(O)=O)C(N)C(O)=O Show InChI InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Binding affinity towards recombinant human mitochondrial carbonic anhydrase V				Bioorg Med Chem Lett 15: 1683-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.049 BindingDB Entry DOI: 10.7270/Q2NC60PJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50162816 (CHEMBL180570 | Medronic acid | Methylene diphsphon...) Show SMILES OP(O)(=O)CP(O)(O)=O Show InChI InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Binding affinity owards recombinant human transmembrane carbonic anhydrase IX				Bioorg Med Chem Lett 15: 1683-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.049 BindingDB Entry DOI: 10.7270/Q2NC60PJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50162817 (2-Amino-3-phosphonooxy-butyric acid | CHEMBL369507) Show SMILES CC(OP(O)(O)=O)C(N)C(O)=O Show InChI InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.08E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Binding affinity towards human cytosolic carbonic anhydrase II				Bioorg Med Chem Lett 15: 1683-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.049 BindingDB Entry DOI: 10.7270/Q2NC60PJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50162817 (2-Amino-3-phosphonooxy-butyric acid | CHEMBL369507) Show SMILES CC(OP(O)(O)=O)C(N)C(O)=O Show InChI InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.23E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Binding affinity owards recombinant human transmembrane carbonic anhydrase IX				Bioorg Med Chem Lett 15: 1683-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.049 BindingDB Entry DOI: 10.7270/Q2NC60PJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50162816 (CHEMBL180570 | Medronic acid | Methylene diphsphon...) Show SMILES OP(O)(=O)CP(O)(O)=O Show InChI InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.25E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Binding affinity towards human cytosolic carbonic anhydrase II				Bioorg Med Chem Lett 15: 1683-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.049 BindingDB Entry DOI: 10.7270/Q2NC60PJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50131862 (CHEMBL122938 | methylphosphonic acid) Show SMILES CP(O)(O)=O Show InChI InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.26E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Binding affinity owards recombinant human transmembrane carbonic anhydrase IX				Bioorg Med Chem Lett 15: 1683-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.049 BindingDB Entry DOI: 10.7270/Q2NC60PJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50011181 ((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...) Show SMILES OC(=O)P(O)(O)=O Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.21E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Binding affinity owards recombinant human transmembrane carbonic anhydrase IX				Bioorg Med Chem Lett 15: 1683-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.049 BindingDB Entry DOI: 10.7270/Q2NC60PJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50162814 (CHEMBL179801 | Phenyl-phosphonic acid) Show SMILES OP(O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	2.21E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Binding affinity owards recombinant human transmembrane carbonic anhydrase IX				Bioorg Med Chem Lett 15: 1683-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.049 BindingDB Entry DOI: 10.7270/Q2NC60PJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50162817 (2-Amino-3-phosphonooxy-butyric acid | CHEMBL369507) Show SMILES CC(OP(O)(O)=O)C(N)C(O)=O Show InChI InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.18E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Binding affinity towards human membrane associated carbonic anhydrase IV				Bioorg Med Chem Lett 15: 1683-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.049 BindingDB Entry DOI: 10.7270/Q2NC60PJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50162816 (CHEMBL180570 | Medronic acid | Methylene diphsphon...) Show SMILES OP(O)(=O)CP(O)(O)=O Show InChI InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.34E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Binding affinity towards human membrane associated carbonic anhydrase IV				Bioorg Med Chem Lett 15: 1683-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.049 BindingDB Entry DOI: 10.7270/Q2NC60PJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50011181 ((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...) Show SMILES OC(=O)P(O)(O)=O Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.42E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Binding affinity towards human cytosolic carbonic anhydrase II				Bioorg Med Chem Lett 15: 1683-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.049 BindingDB Entry DOI: 10.7270/Q2NC60PJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50011181 ((PFA)dihydroxyphosphinecarboxylic acid oxide | CHE...) Show SMILES OC(=O)P(O)(O)=O Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.17E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Binding affinity towards recombinant human mitochondrial carbonic anhydrase V				Bioorg Med Chem Lett 15: 1683-6 (2005) Article DOI: 10.1016/j.bmcl.2005.01.049 BindingDB Entry DOI: 10.7270/Q2NC60PJ
					More data for this Ligand-Target Pair