BDBM50099903 4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine::CHEMBL29205

SMILES: COc1cccc(c1)-c1csc(n1)-c1cc(sc1SC)C(N)=N

InChI Key: InChIKey=HFUGBKCICWUZIJ-UHFFFAOYSA-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 = 50099903   

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
Complement C1s (Homo sapiens (Human))	BDBM50099903 (4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulf...) Show SMILES COc1cccc(c1)-c1csc(n1)-c1cc(sc1SC)C(N)=N Show InChI InChI=1S/C16H15N3OS3/c1-20-10-5-3-4-9(6-10)12-8-22-15(19-12)11-7-13(14(17)18)23-16(11)21-2/h3-8H,1-2H3,(H3,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Inc Curated by ChEMBL					Assay Description In vitro binding affinity towards human Complement C1s subcomponent				Bioorg Med Chem Lett 14: 3043-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.034 BindingDB Entry DOI: 10.7270/Q2K35T33
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50099903 (4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulf...) Show SMILES COc1cccc(c1)-c1csc(n1)-c1cc(sc1SC)C(N)=N Show InChI InChI=1S/C16H15N3OS3/c1-20-10-5-3-4-9(6-10)12-8-22-15(19-12)11-7-13(14(17)18)23-16(11)21-2/h3-8H,1-2H3,(H3,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Trypsin				Bioorg Med Chem Lett 11: 1379-82 (2001) BindingDB Entry DOI: 10.7270/Q24M93S1
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50099903 (4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulf...) Show SMILES COc1cccc(c1)-c1csc(n1)-c1cc(sc1SC)C(N)=N Show InChI InChI=1S/C16H15N3OS3/c1-20-10-5-3-4-9(6-10)12-8-22-15(19-12)11-7-13(14(17)18)23-16(11)21-2/h3-8H,1-2H3,(H3,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity of the compound against tissue plasminogen activator				Bioorg Med Chem Lett 11: 1379-82 (2001) BindingDB Entry DOI: 10.7270/Q24M93S1
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50099903 (4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulf...) Show SMILES COc1cccc(c1)-c1csc(n1)-c1cc(sc1SC)C(N)=N Show InChI InChI=1S/C16H15N3OS3/c1-20-10-5-3-4-9(6-10)12-8-22-15(19-12)11-7-13(14(17)18)23-16(11)21-2/h3-8H,1-2H3,(H3,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity of the compound against plasmin				Bioorg Med Chem Lett 11: 1379-82 (2001) BindingDB Entry DOI: 10.7270/Q24M93S1
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50099903 (4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulf...) Show SMILES COc1cccc(c1)-c1csc(n1)-c1cc(sc1SC)C(N)=N Show InChI InChI=1S/C16H15N3OS3/c1-20-10-5-3-4-9(6-10)12-8-22-15(19-12)11-7-13(14(17)18)23-16(11)21-2/h3-8H,1-2H3,(H3,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Thrombin (no observable inhibition at this screening concentration)				Bioorg Med Chem Lett 11: 1379-82 (2001) BindingDB Entry DOI: 10.7270/Q24M93S1
					More data for this Ligand-Target Pair
Chymotrypsin (Homo sapiens (Human))	BDBM50099903 (4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulf...) Show SMILES COc1cccc(c1)-c1csc(n1)-c1cc(sc1SC)C(N)=N Show InChI InChI=1S/C16H15N3OS3/c1-20-10-5-3-4-9(6-10)12-8-22-15(19-12)11-7-13(14(17)18)23-16(11)21-2/h3-8H,1-2H3,(H3,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Serine protease chymotrypsin (no observable inhibition at this screening concentration)				Bioorg Med Chem Lett 11: 1379-82 (2001) BindingDB Entry DOI: 10.7270/Q24M93S1
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50099903 (4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-5-methylsulf...) Show SMILES COc1cccc(c1)-c1csc(n1)-c1cc(sc1SC)C(N)=N Show InChI InChI=1S/C16H15N3OS3/c1-20-10-5-3-4-9(6-10)12-8-22-15(19-12)11-7-13(14(17)18)23-16(11)21-2/h3-8H,1-2H3,(H3,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)				Bioorg Med Chem Lett 11: 1379-82 (2001) BindingDB Entry DOI: 10.7270/Q24M93S1
					More data for this Ligand-Target Pair