BDBM50104714 CHEMBL109861::N-[5-(4-Chloro-phenyl)-6H-[1,3,4]thiadiazin-2-yl]-2-(thiophene-2-sulfonylamino)-propionamide

SMILES: C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1

InChI Key: InChIKey=BTMGFNYLYGWAKT-JTQLQIEISA-N

Data: 7 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 7 hits for monomerid = 50104714   

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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50104714 (CHEMBL109861 | N-[5-(4-Chloro-phenyl)-6H-[1,3,4]th...) Show SMILES C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1 |c:17,t:15| Show InChI InChI=1S/C16H15ClN4O3S3/c1-10(21-27(23,24)14-3-2-8-25-14)15(22)18-16-20-19-13(9-26-16)11-4-6-12(17)7-5-11/h2-8,10,21H,9H2,1H3,(H,18,20,22)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	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))	BDBM50104714 (CHEMBL109861 | N-[5-(4-Chloro-phenyl)-6H-[1,3,4]th...) Show SMILES C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1 |c:17,t:15| Show InChI InChI=1S/C16H15ClN4O3S3/c1-10(21-27(23,24)14-3-2-8-25-14)15(22)18-16-20-19-13(9-26-16)11-4-6-12(17)7-5-11/h2-8,10,21H,9H2,1H3,(H,18,20,22)/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	250	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
Matrix metalloproteinase-12 (MMP12) (Homo sapiens (Human))	BDBM50104714 (CHEMBL109861 | N-[5-(4-Chloro-phenyl)-6H-[1,3,4]th...) Show SMILES C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1 |c:17,t:15| Show InChI InChI=1S/C16H15ClN4O3S3/c1-10(21-27(23,24)14-3-2-8-25-14)15(22)18-16-20-19-13(9-26-16)11-4-6-12(17)7-5-11/h2-8,10,21H,9H2,1H3,(H,18,20,22)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	360	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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50104714 (CHEMBL109861 | N-[5-(4-Chloro-phenyl)-6H-[1,3,4]th...) Show SMILES C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1 |c:17,t:15| Show InChI InChI=1S/C16H15ClN4O3S3/c1-10(21-27(23,24)14-3-2-8-25-14)15(22)18-16-20-19-13(9-26-16)11-4-6-12(17)7-5-11/h2-8,10,21H,9H2,1H3,(H,18,20,22)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	550	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-9 (Homo sapiens (Human))	BDBM50104714 (CHEMBL109861 | N-[5-(4-Chloro-phenyl)-6H-[1,3,4]th...) Show SMILES C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1 |c:17,t:15| Show InChI InChI=1S/C16H15ClN4O3S3/c1-10(21-27(23,24)14-3-2-8-25-14)15(22)18-16-20-19-13(9-26-16)11-4-6-12(17)7-5-11/h2-8,10,21H,9H2,1H3,(H,18,20,22)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	800	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
Interstitial collagenase (Homo sapiens (Human))	BDBM50104714 (CHEMBL109861 | N-[5-(4-Chloro-phenyl)-6H-[1,3,4]th...) Show SMILES C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1 |c:17,t:15| Show InChI InChI=1S/C16H15ClN4O3S3/c1-10(21-27(23,24)14-3-2-8-25-14)15(22)18-16-20-19-13(9-26-16)11-4-6-12(17)7-5-11/h2-8,10,21H,9H2,1H3,(H,18,20,22)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.04E+3	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
Collagenase 3 (Homo sapiens (Human))	BDBM50104714 (CHEMBL109861 | N-[5-(4-Chloro-phenyl)-6H-[1,3,4]th...) Show SMILES C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1 |c:17,t:15| Show InChI InChI=1S/C16H15ClN4O3S3/c1-10(21-27(23,24)14-3-2-8-25-14)15(22)18-16-20-19-13(9-26-16)11-4-6-12(17)7-5-11/h2-8,10,21H,9H2,1H3,(H,18,20,22)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.81E+3	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