Identical Ligands in BindingDB

Found 7 hits Enzyme Inhibition Constant Data   

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   (260/260 = 100%)† (Homo sapiens (Human))	BDBM13057 (CHEMBL417656 | Compound 9 | Cyclic Sulfate Analogu...) Show SMILES CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 |r| Show InChI InChI=1S/C9H15NO10S2/c1-8(2)17-7-6-5(18-22(13,14)19-6)3-15-9(7,20-8)4-16-21(10,11)12/h5-7H,3-4H2,1-2H3,(H2,10,11,12)/t5-,6-,7+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibitory constant value for Carbonic anhydrase II in human determined in pH-shift assay				J Med Chem 48: 1941-7 (2005) Article DOI: 10.1021/jm040124c BindingDB Entry DOI: 10.7270/Q2SQ9152
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2   (260/260 = 100%)† (Homo sapiens (Human))	BDBM13057 (CHEMBL417656 | Compound 9 | Cyclic Sulfate Analogu...) Show SMILES CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 |r| Show InChI InChI=1S/C9H15NO10S2/c1-8(2)17-7-6-5(18-22(13,14)19-6)3-15-9(7,20-8)4-16-21(10,11)12/h5-7H,3-4H2,1-2H3,(H2,10,11,12)/t5-,6-,7+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibitory constant value for Carbonic anhydrase II in human determined in pH-shift assay				J Med Chem 48: 1941-7 (2005) Article DOI: 10.1021/jm040124c BindingDB Entry DOI: 10.7270/Q2SQ9152
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2   (260/260 = 100%)† (Homo sapiens (Human))	BDBM13057 (CHEMBL417656 | Compound 9 | Cyclic Sulfate Analogu...) Show SMILES CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 |r| Show InChI InChI=1S/C9H15NO10S2/c1-8(2)17-7-6-5(18-22(13,14)19-6)3-15-9(7,20-8)4-16-21(10,11)12/h5-7H,3-4H2,1-2H3,(H2,10,11,12)/t5-,6-,7+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	36	-42.1	n/a	n/a	n/a	n/a	n/a	7.5	22
Universite Montpellier II					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 7024-31 (2006) Article DOI: 10.1021/jm060807n BindingDB Entry DOI: 10.7270/Q24T6GKT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2   (260/260 = 100%)† (Homo sapiens (Human))	BDBM13057 (CHEMBL417656 | Compound 9 | Cyclic Sulfate Analogu...) Show SMILES CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 |r| Show InChI InChI=1S/C9H15NO10S2/c1-8(2)17-7-6-5(18-22(13,14)19-6)3-15-9(7,20-8)4-16-21(10,11)12/h5-7H,3-4H2,1-2H3,(H2,10,11,12)/t5-,6-,7+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibitory constant value for Carbonic anhydrase II in human determined in esterase assay				J Med Chem 48: 1941-7 (2005) Article DOI: 10.1021/jm040124c BindingDB Entry DOI: 10.7270/Q2SQ9152
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2   (260/260 = 100%)† (Homo sapiens (Human))	BDBM13057 (CHEMBL417656 | Compound 9 | Cyclic Sulfate Analogu...) Show SMILES CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 |r| Show InChI InChI=1S/C9H15NO10S2/c1-8(2)17-7-6-5(18-22(13,14)19-6)3-15-9(7,20-8)4-16-21(10,11)12/h5-7H,3-4H2,1-2H3,(H2,10,11,12)/t5-,6-,7+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibitory constant value for Carbonic anhydrase II in human determined in esterase assay				J Med Chem 48: 1941-7 (2005) Article DOI: 10.1021/jm040124c BindingDB Entry DOI: 10.7270/Q2SQ9152
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2   (260/260 = 100%)† (Homo sapiens (Human))	BDBM13057 (CHEMBL417656 | Compound 9 | Cyclic Sulfate Analogu...) Show SMILES CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 |r| Show InChI InChI=1S/C9H15NO10S2/c1-8(2)17-7-6-5(18-22(13,14)19-6)3-15-9(7,20-8)4-16-21(10,11)12/h5-7H,3-4H2,1-2H3,(H2,10,11,12)/t5-,6-,7+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Compound was tested for inhibition of human carbonic anhydrase (hCA II)				Bioorg Med Chem Lett 13: 863-5 (2003) BindingDB Entry DOI: 10.7270/Q2319WFW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2   (260/260 = 100%)† (Homo sapiens (Human))	BDBM13057 (CHEMBL417656 | Compound 9 | Cyclic Sulfate Analogu...) Show SMILES CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 |r| Show InChI InChI=1S/C9H15NO10S2/c1-8(2)17-7-6-5(18-22(13,14)19-6)3-15-9(7,20-8)4-16-21(10,11)12/h5-7H,3-4H2,1-2H3,(H2,10,11,12)/t5-,6-,7+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human CA2 by ThermoFluor assay				J Med Chem 49: 3496-500 (2006) Article DOI: 10.1021/jm058279n BindingDB Entry DOI: 10.7270/Q2XP75RG
					More data for this Ligand-Target Pair				3D Structure (crystal)

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