BDBM50070629 4-[2-(3-Benzenesulfonylamino-5-methyl-phenoxy)-ethylamino]-pyridinium::CHEMBL24097::N-{3-Methyl-5-[2-(pyridin-4-ylamino)-ethoxy]-phenyl}-benzenesulfonamide

SMILES: Cc1cc(NS(=O)(=O)c2ccccc2)cc(OCCNc2ccncc2)c1

InChI Key: InChIKey=MPTWCWHNLVMCRW-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50070629   

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
Prothrombin (Homo sapiens (Human))	BDBM50070629 (4-[2-(3-Benzenesulfonylamino-5-methyl-phenoxy)-eth...) Show SMILES Cc1cc(NS(=O)(=O)c2ccccc2)cc(OCCNc2ccncc2)c1 Show InChI InChI=1S/C20H21N3O3S/c1-16-13-18(23-27(24,25)20-5-3-2-4-6-20)15-19(14-16)26-12-11-22-17-7-9-21-10-8-17/h2-10,13-15,23H,11-12H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmazeutisch-Chemisches Institut der Universität Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 8: 1613-8 (1999) BindingDB Entry DOI: 10.7270/Q2VH5N09
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070629 (4-[2-(3-Benzenesulfonylamino-5-methyl-phenoxy)-eth...) Show SMILES Cc1cc(NS(=O)(=O)c2ccccc2)cc(OCCNc2ccncc2)c1 Show InChI InChI=1S/C20H21N3O3S/c1-16-13-18(23-27(24,25)20-5-3-2-4-6-20)15-19(14-16)26-12-11-22-17-7-9-21-10-8-17/h2-10,13-15,23H,11-12H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human thrombin				J Med Chem 61: 3799-3822 (2018) Article DOI: 10.1021/acs.jmedchem.7b00772 BindingDB Entry DOI: 10.7270/Q2C2502H
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070629 (4-[2-(3-Benzenesulfonylamino-5-methyl-phenoxy)-eth...) Show SMILES Cc1cc(NS(=O)(=O)c2ccccc2)cc(OCCNc2ccncc2)c1 Show InChI InChI=1S/C20H21N3O3S/c1-16-13-18(23-27(24,25)20-5-3-2-4-6-20)15-19(14-16)26-12-11-22-17-7-9-21-10-8-17/h2-10,13-15,23H,11-12H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Thrombosis Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human thrombin.				J Med Chem 46: 1293-305 (2003) Article DOI: 10.1021/jm021028j BindingDB Entry DOI: 10.7270/Q2SX6CMZ
					More data for this Ligand-Target Pair
Thrombin (Bos taurus (Bovine))	BDBM50070629 (4-[2-(3-Benzenesulfonylamino-5-methyl-phenoxy)-eth...) Show SMILES Cc1cc(NS(=O)(=O)c2ccccc2)cc(OCCNc2ccncc2)c1 Show InChI InChI=1S/C20H21N3O3S/c1-16-13-18(23-27(24,25)20-5-3-2-4-6-20)15-19(14-16)26-12-11-22-17-7-9-21-10-8-17/h2-10,13-15,23H,11-12H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Binding affinity against bovine Thrombin				J Med Chem 45: 2469-83 (2002) BindingDB Entry DOI: 10.7270/Q28916J7
					More data for this Ligand-Target Pair