BDBM11362 2-{[(2-chlorophenyl)methyl](1,1,2,2,3,3,4,4,4-nonafluorobutane)sulfonamido}-N-hydroxypropanamide::Hydroxamate 43::hydroxamate deriv. B4

SMILES: CC(N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO

InChI Key: InChIKey=DUCBSHDQTBWWLC-UHFFFAOYSA-N

Data: 11 KI  1 IC50

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 12 hits for monomerid = 11362   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11362 (2-{[(2-chlorophenyl)methyl](1,1,2,2,3,3,4,4,4-nona...) Show SMILES CC(N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C14H12ClF9N2O4S/c1-7(10(27)25-28)26(6-8-4-2-3-5-9(8)15)31(29,30)14(23,24)12(18,19)11(16,17)13(20,21)22/h2-5,7,28H,6H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.70	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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11362 (2-{[(2-chlorophenyl)methyl](1,1,2,2,3,3,4,4,4-nona...) Show SMILES CC(N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C14H12ClF9N2O4S/c1-7(10(27)25-28)26(6-8-4-2-3-5-9(8)15)31(29,30)14(23,24)12(18,19)11(16,17)13(20,21)22/h2-5,7,28H,6H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.70	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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM11362 (2-{[(2-chlorophenyl)methyl](1,1,2,2,3,3,4,4,4-nona...) Show SMILES CC(N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C14H12ClF9N2O4S/c1-7(10(27)25-28)26(6-8-4-2-3-5-9(8)15)31(29,30)14(23,24)12(18,19)11(16,17)13(20,21)22/h2-5,7,28H,6H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM11362 (2-{[(2-chlorophenyl)methyl](1,1,2,2,3,3,4,4,4-nona...) Show SMILES CC(N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C14H12ClF9N2O4S/c1-7(10(27)25-28)26(6-8-4-2-3-5-9(8)15)31(29,30)14(23,24)12(18,19)11(16,17)13(20,21)22/h2-5,7,28H,6H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	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
Neutrophil collagenase (Homo sapiens (Human))	BDBM11362 (2-{[(2-chlorophenyl)methyl](1,1,2,2,3,3,4,4,4-nona...) Show SMILES CC(N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C14H12ClF9N2O4S/c1-7(10(27)25-28)26(6-8-4-2-3-5-9(8)15)31(29,30)14(23,24)12(18,19)11(16,17)13(20,21)22/h2-5,7,28H,6H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.40	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
Collagenase (ChC) (Clostridium histolyticum)	BDBM11362 (2-{[(2-chlorophenyl)methyl](1,1,2,2,3,3,4,4,4-nona...) Show SMILES CC(N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C14H12ClF9N2O4S/c1-7(10(27)25-28)26(6-8-4-2-3-5-9(8)15)31(29,30)14(23,24)12(18,19)11(16,17)13(20,21)22/h2-5,7,28H,6H2,1H3,(H,25,27)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	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
Collagenase (ChC) (Clostridium histolyticum)	BDBM11362 (2-{[(2-chlorophenyl)methyl](1,1,2,2,3,3,4,4,4-nona...) Show SMILES CC(N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C14H12ClF9N2O4S/c1-7(10(27)25-28)26(6-8-4-2-3-5-9(8)15)31(29,30)14(23,24)12(18,19)11(16,17)13(20,21)22/h2-5,7,28H,6H2,1H3,(H,25,27)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					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...				Bioorg Med Chem 8: 637-45 (2000) Article DOI: 10.1016/s0968-0896(99)00316-8 BindingDB Entry DOI: 10.7270/Q2542KT3
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM11362 (2-{[(2-chlorophenyl)methyl](1,1,2,2,3,3,4,4,4-nona...) Show SMILES CC(N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C14H12ClF9N2O4S/c1-7(10(27)25-28)26(6-8-4-2-3-5-9(8)15)31(29,30)14(23,24)12(18,19)11(16,17)13(20,21)22/h2-5,7,28H,6H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	37	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 2 (Homo sapiens (Human))	BDBM11362 (2-{[(2-chlorophenyl)methyl](1,1,2,2,3,3,4,4,4-nona...) Show SMILES CC(N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C14H12ClF9N2O4S/c1-7(10(27)25-28)26(6-8-4-2-3-5-9(8)15)31(29,30)14(23,24)12(18,19)11(16,17)13(20,21)22/h2-5,7,28H,6H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 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 1 (Homo sapiens (Human))	BDBM11362 (2-{[(2-chlorophenyl)methyl](1,1,2,2,3,3,4,4,4-nona...) Show SMILES CC(N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C14H12ClF9N2O4S/c1-7(10(27)25-28)26(6-8-4-2-3-5-9(8)15)31(29,30)14(23,24)12(18,19)11(16,17)13(20,21)22/h2-5,7,28H,6H2,1H3,(H,25,27)	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	>200	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))	BDBM11362 (2-{[(2-chlorophenyl)methyl](1,1,2,2,3,3,4,4,4-nona...) Show SMILES CC(N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C14H12ClF9N2O4S/c1-7(10(27)25-28)26(6-8-4-2-3-5-9(8)15)31(29,30)14(23,24)12(18,19)11(16,17)13(20,21)22/h2-5,7,28H,6H2,1H3,(H,25,27)	Reactome pathway KEGG UniProtKB/SwissProt 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 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
Interstitial collagenase (Homo sapiens (Human))	BDBM11362 (2-{[(2-chlorophenyl)methyl](1,1,2,2,3,3,4,4,4-nona...) Show SMILES CC(N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO Show InChI InChI=1S/C14H12ClF9N2O4S/c1-7(10(27)25-28)26(6-8-4-2-3-5-9(8)15)31(29,30)14(23,24)12(18,19)11(16,17)13(20,21)22/h2-5,7,28H,6H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP1				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