BDBM11344 Hydroxamate 25::N-hydroxy-4-methyl-2-[(1,1,2,2,3,3,4,4,4-nonafluorobutane)sulfonamido]pentanamide

SMILES: CC(C)CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO

InChI Key: InChIKey=STWCTQDLUUVJMC-UHFFFAOYSA-N

Data: 10 KI

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 10 hits for monomerid = 11344   

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 2 (Homo sapiens (Human))	BDBM11344 (Hydroxamate 25 | N-hydroxy-4-methyl-2-[(1,1,2,2,3,...) Show SMILES CC(C)CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C10H13F9N2O4S/c1-4(2)3-5(6(22)20-23)21-26(24,25)10(18,19)8(13,14)7(11,12)9(15,16)17/h4-5,21,23H,3H2,1-2H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi					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 43: 3677-87 (2000) Article DOI: 10.1021/jm000027t BindingDB Entry DOI: 10.7270/Q2736P45
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM11344 (Hydroxamate 25 | N-hydroxy-4-methyl-2-[(1,1,2,2,3,...) Show SMILES CC(C)CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C10H13F9N2O4S/c1-4(2)3-5(6(22)20-23)21-26(24,25)10(18,19)8(13,14)7(11,12)9(15,16)17/h4-5,21,23H,3H2,1-2H3,(H,20,22)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi					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 43: 3677-87 (2000) Article DOI: 10.1021/jm000027t BindingDB Entry DOI: 10.7270/Q2736P45
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM11344 (Hydroxamate 25 | N-hydroxy-4-methyl-2-[(1,1,2,2,3,...) Show SMILES CC(C)CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C10H13F9N2O4S/c1-4(2)3-5(6(22)20-23)21-26(24,25)10(18,19)8(13,14)7(11,12)9(15,16)17/h4-5,21,23H,3H2,1-2H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi					Assay Description Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...				J Med Chem 43: 3677-87 (2000) Article DOI: 10.1021/jm000027t BindingDB Entry DOI: 10.7270/Q2736P45
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM11344 (Hydroxamate 25 | N-hydroxy-4-methyl-2-[(1,1,2,2,3,...) Show SMILES CC(C)CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C10H13F9N2O4S/c1-4(2)3-5(6(22)20-23)21-26(24,25)10(18,19)8(13,14)7(11,12)9(15,16)17/h4-5,21,23H,3H2,1-2H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi					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 43: 3677-87 (2000) Article DOI: 10.1021/jm000027t BindingDB Entry DOI: 10.7270/Q2736P45
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM11344 (Hydroxamate 25 | N-hydroxy-4-methyl-2-[(1,1,2,2,3,...) Show SMILES CC(C)CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C10H13F9N2O4S/c1-4(2)3-5(6(22)20-23)21-26(24,25)10(18,19)8(13,14)7(11,12)9(15,16)17/h4-5,21,23H,3H2,1-2H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP9				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11344 (Hydroxamate 25 | N-hydroxy-4-methyl-2-[(1,1,2,2,3,...) Show SMILES CC(C)CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C10H13F9N2O4S/c1-4(2)3-5(6(22)20-23)21-26(24,25)10(18,19)8(13,14)7(11,12)9(15,16)17/h4-5,21,23H,3H2,1-2H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi					Assay Description Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...				J Med Chem 43: 3677-87 (2000) Article DOI: 10.1021/jm000027t BindingDB Entry DOI: 10.7270/Q2736P45
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11344 (Hydroxamate 25 | N-hydroxy-4-methyl-2-[(1,1,2,2,3,...) Show SMILES CC(C)CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C10H13F9N2O4S/c1-4(2)3-5(6(22)20-23)21-26(24,25)10(18,19)8(13,14)7(11,12)9(15,16)17/h4-5,21,23H,3H2,1-2H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
					More data for this Ligand-Target Pair
Collagenase (ChC) (Clostridium histolyticum)	BDBM11344 (Hydroxamate 25 | N-hydroxy-4-methyl-2-[(1,1,2,2,3,...) Show SMILES CC(C)CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C10H13F9N2O4S/c1-4(2)3-5(6(22)20-23)21-26(24,25)10(18,19)8(13,14)7(11,12)9(15,16)17/h4-5,21,23H,3H2,1-2H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi					Assay Description The rate of hydrolysis was determined from the change in absorbance at 324 nm using an extinction coefficient, 24700 M-1 cm-1 for FALGPA. Initial vel...				J Med Chem 43: 3677-87 (2000) Article DOI: 10.1021/jm000027t BindingDB Entry DOI: 10.7270/Q2736P45
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM11344 (Hydroxamate 25 | N-hydroxy-4-methyl-2-[(1,1,2,2,3,...) Show SMILES CC(C)CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C10H13F9N2O4S/c1-4(2)3-5(6(22)20-23)21-26(24,25)10(18,19)8(13,14)7(11,12)9(15,16)17/h4-5,21,23H,3H2,1-2H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi					Assay Description Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...				J Med Chem 43: 3677-87 (2000) Article DOI: 10.1021/jm000027t BindingDB Entry DOI: 10.7270/Q2736P45
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM11344 (Hydroxamate 25 | N-hydroxy-4-methyl-2-[(1,1,2,2,3,...) Show SMILES CC(C)CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C10H13F9N2O4S/c1-4(2)3-5(6(22)20-23)21-26(24,25)10(18,19)8(13,14)7(11,12)9(15,16)17/h4-5,21,23H,3H2,1-2H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi					Assay Description Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...				J Med Chem 43: 3677-87 (2000) Article DOI: 10.1021/jm000027t BindingDB Entry DOI: 10.7270/Q2736P45
					More data for this Ligand-Target Pair