BDBM50104717 (R)-N-(5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl)-2-(phenylsulfonamido)propanamide::2-Benzenesulfonylamino-N-[5-(4-fluoro-phenyl)-6H-[1,3,4]thiadiazin-2-yl]-propionamide::CHEMBL322795

SMILES: C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(F)cc1

InChI Key: InChIKey=LEDMBBYIVRLZAS-GFCCVEGCSA-N

Data: 9 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 9 hits for monomerid = 50104717   

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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50104717 ((R)-N-(5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl...) Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(F)cc1 |c:18,t:16| Show InChI InChI=1S/C18H17FN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Bielefeld Curated by ChEMBL					Assay Description In vitro inhibition of human matrix metalloprotease-9				J Med Chem 44: 3231-43 (2001) BindingDB Entry DOI: 10.7270/Q2RN3758
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50104717 ((R)-N-(5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl...) Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(F)cc1 |c:18,t:16| Show InChI InChI=1S/C18H17FN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Bielefeld Curated by ChEMBL					Assay Description In Vitro inhibitory activity against the catalytic domain of the matrix metalloprotease-13				J Med Chem 44: 3231-43 (2001) BindingDB Entry DOI: 10.7270/Q2RN3758
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50104717 ((R)-N-(5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl...) Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(F)cc1 |c:18,t:16| Show InChI InChI=1S/C18H17FN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Bielefeld Curated by ChEMBL					Assay Description In vitro inhibitory activity against the ectodomain of the human matrix metalloproteinase-14				J Med Chem 44: 3231-43 (2001) BindingDB Entry DOI: 10.7270/Q2RN3758
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50104717 ((R)-N-(5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl...) Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(F)cc1 |c:18,t:16| Show InChI InChI=1S/C18H17FN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Bielefeld Curated by ChEMBL					Assay Description In vitro inhibitory activity against the catalytic domain of the human matrix metalloprotease-2				J Med Chem 44: 3231-43 (2001) BindingDB Entry DOI: 10.7270/Q2RN3758
					More data for this Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12) (Homo sapiens (Human))	BDBM50104717 ((R)-N-(5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl...) Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(F)cc1 |c:18,t:16| Show InChI InChI=1S/C18H17FN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	347	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 MMP12				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-12 (MMP12) (Homo sapiens (Human))	BDBM50104717 ((R)-N-(5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl...) Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(F)cc1 |c:18,t:16| Show InChI InChI=1S/C18H17FN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Bielefeld Curated by ChEMBL					Assay Description In Vitro inhibitory activity against the catalytic domain of the matrix metalloprotease-12				J Med Chem 44: 3231-43 (2001) BindingDB Entry DOI: 10.7270/Q2RN3758
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50104717 ((R)-N-(5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl...) Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(F)cc1 |c:18,t:16| Show InChI InChI=1S/C18H17FN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Bielefeld Curated by ChEMBL					Assay Description Inhibitory activity against matrix metalloprotease-8				J Med Chem 44: 3231-43 (2001) BindingDB Entry DOI: 10.7270/Q2RN3758
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50104717 ((R)-N-(5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl...) Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(F)cc1 |c:18,t:16| Show InChI InChI=1S/C18H17FN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Bielefeld Curated by ChEMBL					Assay Description In vitro inhibitory activity against the catalytic domain of human matrix metalloprotease-14				J Med Chem 44: 3231-43 (2001) BindingDB Entry DOI: 10.7270/Q2RN3758
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50104717 ((R)-N-(5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl...) Show SMILES C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(F)cc1 |c:18,t:16| Show InChI InChI=1S/C18H17FN4O3S2/c1-12(23-28(25,26)15-5-3-2-4-6-15)17(24)20-18-22-21-16(11-27-18)13-7-9-14(19)10-8-13/h2-10,12,23H,11H2,1H3,(H,20,22,24)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Bielefeld Curated by ChEMBL					Assay Description In vitro inhibitory activity against the catalytic domain of the human matrix metalloprotease-1				J Med Chem 44: 3231-43 (2001) BindingDB Entry DOI: 10.7270/Q2RN3758
					More data for this Ligand-Target Pair