BDBM50076951 ((R)-2-Cyclohexyl-1-{methyl-[(2-oxo-1-piperidin-4-ylmethyl-2-thiazol-2-yl-ethylcarbamoyl)-methyl]-carbamoyl}-ethylamino)-acetic acid::CHEMBL20442

SMILES: CN(CC(=O)NC(CC1CCNCC1)C(=O)c1nccs1)C(=O)[C@@H](CC1CCCCC1)NCC(O)=O

InChI Key: InChIKey=BYKNECSROBDKTG-GFOWMXPYSA-N

Data: 2 IC50

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 = 50076951   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50076951 (((R)-2-Cyclohexyl-1-{methyl-[(2-oxo-1-piperidin-4-...) Show SMILES CN(CC(=O)NC(CC1CCNCC1)C(=O)c1nccs1)C(=O)[C@@H](CC1CCCCC1)NCC(O)=O Show InChI InChI=1S/C25H39N5O5S/c1-30(25(35)20(28-15-22(32)33)14-17-5-3-2-4-6-17)16-21(31)29-19(13-18-7-9-26-10-8-18)23(34)24-27-11-12-36-24/h11-12,17-20,26,28H,2-10,13-16H2,1H3,(H,29,31)(H,32,33)/t19?,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X with respect to Argatroban				Bioorg Med Chem Lett 9: 1227-32 (1999) BindingDB Entry DOI: 10.7270/Q2XW4K9J
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076951 (((R)-2-Cyclohexyl-1-{methyl-[(2-oxo-1-piperidin-4-...) Show SMILES CN(CC(=O)NC(CC1CCNCC1)C(=O)c1nccs1)C(=O)[C@@H](CC1CCCCC1)NCC(O)=O Show InChI InChI=1S/C25H39N5O5S/c1-30(25(35)20(28-15-22(32)33)14-17-5-3-2-4-6-17)16-21(31)29-19(13-18-7-9-26-10-8-18)23(34)24-27-11-12-36-24/h11-12,17-20,26,28H,2-10,13-16H2,1H3,(H,29,31)(H,32,33)/t19?,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against thrombin with respect to Argatroban				Bioorg Med Chem Lett 9: 1227-32 (1999) BindingDB Entry DOI: 10.7270/Q2XW4K9J
					More data for this Ligand-Target Pair