BDBM50075869 4-[(S)-1-(2-Hydroxy-ethoxymethyl)-2-phenyl-ethylamino]-pyridine-3-sulfonic acid [(S)-1-(4-amino-benzyl)-2-(4-ethyl-piperidin-1-yl)-2-oxo-ethyl]-amide::CHEMBL164664

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

InChI Key: InChIKey=ROPFXCPZGNPSNH-JDXGNMNLSA-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 = 50075869   

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))	BDBM50075869 (4-[(S)-1-(2-Hydroxy-ethoxymethyl)-2-phenyl-ethylam...) Show SMILES CCC1CCN(CC1)C(=O)[C@H](Cc1ccc(N)cc1)NS(=O)(=O)c1cnccc1N[C@H](COCCO)Cc1ccccc1 Show InChI InChI=1S/C32H43N5O5S/c1-2-24-13-16-37(17-14-24)32(39)30(21-26-8-10-27(33)11-9-26)36-43(40,41)31-22-34-15-12-29(31)35-28(23-42-19-18-38)20-25-6-4-3-5-7-25/h3-12,15,22,24,28,30,36,38H,2,13-14,16-21,23,33H2,1H3,(H,34,35)/t28-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	147	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))	BDBM50075869 (4-[(S)-1-(2-Hydroxy-ethoxymethyl)-2-phenyl-ethylam...) Show SMILES CCC1CCN(CC1)C(=O)[C@H](Cc1ccc(N)cc1)NS(=O)(=O)c1cnccc1N[C@H](COCCO)Cc1ccccc1 Show InChI InChI=1S/C32H43N5O5S/c1-2-24-13-16-37(17-14-24)32(39)30(21-26-8-10-27(33)11-9-26)36-43(40,41)31-22-34-15-12-29(31)35-28(23-42-19-18-38)20-25-6-4-3-5-7-25/h3-12,15,22,24,28,30,36,38H,2,13-14,16-21,23,33H2,1H3,(H,34,35)/t28-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	147	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