BDBM50073281 4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridine-3-sulfonic acid [(S)-1-(4-amino-benzyl)-2-(4-ethyl-piperidin-1-yl)-2-oxo-ethyl]-amide::CHEMBL118545

SMILES: CCC1CCN(CC1)C(=O)[C@H](Cc1ccc(N)cc1)NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1

InChI Key: InChIKey=FWEGZZPWSOERRO-XCZPVHLTSA-N

Data: 2 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 2 hits for monomerid = 50073281   

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))	BDBM50073281 (4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...) Show SMILES CCC1CCN(CC1)C(=O)[C@H](Cc1ccc(N)cc1)NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1 Show InChI InChI=1S/C30H39N5O4S/c1-2-22-13-16-35(17-14-22)30(37)28(19-24-8-10-25(31)11-9-24)34-40(38,39)29-20-32-15-12-27(29)33-26(21-36)18-23-6-4-3-5-7-23/h3-12,15,20,22,26,28,34,36H,2,13-14,16-19,21,31H2,1H3,(H,32,33)/t26-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Center Curated by ChEMBL					Assay Description In vitro inhibtion of human thrombin.				Bioorg Med Chem Lett 9: 737-42 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N6V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50073281 (4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridi...) Show SMILES CCC1CCN(CC1)C(=O)[C@H](Cc1ccc(N)cc1)NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1 Show InChI InChI=1S/C30H39N5O4S/c1-2-22-13-16-35(17-14-22)30(37)28(19-24-8-10-25(31)11-9-24)34-40(38,39)29-20-32-15-12-27(29)33-26(21-36)18-23-6-4-3-5-7-23/h3-12,15,20,22,26,28,34,36H,2,13-14,16-19,21,31H2,1H3,(H,32,33)/t26-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Center Curated by ChEMBL					Assay Description In vitro binding affinity for human thrombin.				Bioorg Med Chem Lett 8: 3583-8 (1999) BindingDB Entry DOI: 10.7270/Q24B30GQ
					More data for this Ligand-Target Pair