Affinity Data by PDB ID

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PDB code 2NN1

Identical Ligands in BindingDB

Found 3 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	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Carbonic anhydrase 1 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM29277 (CHEMBL451332 \| sulfonamide, 3) Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre Scientifique de Monaco Curated by ChEMBL					Assay Description Inhibition of human recombinant CA1 by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 21: 710-4 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2010.11.124 BindingDB Entry DOI: 10.7270/Q26D5T7K
Centre Scientifique de Monaco Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM29277 (CHEMBL451332 \| sulfonamide, 3) Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA1 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 17: 1158-63 (2009) Article DOI: 10.1016/j.bmc.2008.12.035 BindingDB Entry DOI: 10.7270/Q2FB53WW
Balikesir University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (260/260 = 100%)^† (Homo sapiens (Human))	BDBM29277 (CHEMBL451332 \| sulfonamide, 3) Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre Scientifique de Monaco Curated by ChEMBL					Assay Description Inhibition of human recombinant CA1 by stopped-flow CO2 assay				Bioorg Med Chem 17: 5054-8 (2009) Article DOI: 10.1016/j.bmc.2009.05.063 BindingDB Entry DOI: 10.7270/Q2FJ2HQJ
Centre Scientifique de Monaco Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output