BDBM16647 2-methyl-N-(4-sulfamoylphenyl)propanamide::4-Isobutanamido-benzenesulfonamide::CHEMBL23417::aromatic sulfonamide compound 12

SMILES: CC(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=VVHPZBGPXIXCQI-UHFFFAOYSA-N

Data: 8 KI

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 16647   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM16647 (2-methyl-N-(4-sulfamoylphenyl)propanamide | 4-Isob...) Show SMILES CC(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C10H14N2O3S/c1-7(2)10(13)12-8-3-5-9(6-4-8)16(11,14)15/h3-7H,1-2H3,(H,12,13)(H2,11,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitiory activity against human Carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 4862-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.048 BindingDB Entry DOI: 10.7270/Q2NK3DMJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM16647 (2-methyl-N-(4-sulfamoylphenyl)propanamide | 4-Isob...) Show SMILES CC(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C10H14N2O3S/c1-7(2)10(13)12-8-3-5-9(6-4-8)16(11,14)15/h3-7H,1-2H3,(H,12,13)(H2,11,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitiory activity against human Carbonic anhydrase IX (hCA IX)				Bioorg Med Chem Lett 15: 4862-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.048 BindingDB Entry DOI: 10.7270/Q2NK3DMJ
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Mus musculus (mouse))	BDBM16647 (2-methyl-N-(4-sulfamoylphenyl)propanamide | 4-Isob...) Show SMILES CC(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C10H14N2O3S/c1-7(2)10(13)12-8-3-5-9(6-4-8)16(11,14)15/h3-7H,1-2H3,(H,12,13)(H2,11,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	233	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					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 47: 1272-9 (2004) Article DOI: 10.1021/jm031057+ BindingDB Entry DOI: 10.7270/Q2MW2FDP
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM16647 (2-methyl-N-(4-sulfamoylphenyl)propanamide | 4-Isob...) Show SMILES CC(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C10H14N2O3S/c1-7(2)10(13)12-8-3-5-9(6-4-8)16(11,14)15/h3-7H,1-2H3,(H,12,13)(H2,11,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	258	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...				J Med Chem 47: 1272-9 (2004) Article DOI: 10.1021/jm031057+ BindingDB Entry DOI: 10.7270/Q2MW2FDP
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM16647 (2-methyl-N-(4-sulfamoylphenyl)propanamide | 4-Isob...) Show SMILES CC(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C10H14N2O3S/c1-7(2)10(13)12-8-3-5-9(6-4-8)16(11,14)15/h3-7H,1-2H3,(H,12,13)(H2,11,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	258	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitiory activity against human Carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 15: 4862-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.048 BindingDB Entry DOI: 10.7270/Q2NK3DMJ
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM16647 (2-methyl-N-(4-sulfamoylphenyl)propanamide | 4-Isob...) Show SMILES CC(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C10H14N2O3S/c1-7(2)10(13)12-8-3-5-9(6-4-8)16(11,14)15/h3-7H,1-2H3,(H,12,13)(H2,11,14,15)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...				J Med Chem 47: 1272-9 (2004) Article DOI: 10.1021/jm031057+ BindingDB Entry DOI: 10.7270/Q2MW2FDP
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM16647 (2-methyl-N-(4-sulfamoylphenyl)propanamide | 4-Isob...) Show SMILES CC(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C10H14N2O3S/c1-7(2)10(13)12-8-3-5-9(6-4-8)16(11,14)15/h3-7H,1-2H3,(H,12,13)(H2,11,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitiory activity against human Carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 15: 4862-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.048 BindingDB Entry DOI: 10.7270/Q2NK3DMJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM16647 (2-methyl-N-(4-sulfamoylphenyl)propanamide | 4-Isob...) Show SMILES CC(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C10H14N2O3S/c1-7(2)10(13)12-8-3-5-9(6-4-8)16(11,14)15/h3-7H,1-2H3,(H,12,13)(H2,11,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.35E+4	-6.31	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi di Firenze					Assay Description Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...				J Med Chem 47: 1272-9 (2004) Article DOI: 10.1021/jm031057+ BindingDB Entry DOI: 10.7270/Q2MW2FDP
					More data for this Ligand-Target Pair