BDBM50076949 (S)-1-((R)-3-Cyclohexyl-2-ethanesulfonylamino-propionyl)-pyrrolidine-2-carboxylic acid (2-oxo-1-piperidin-4-ylmethyl-2-thiazol-2-yl-ethyl)-amide::CHEMBL20568

SMILES: CCS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NC(CC1CCNCC1)C(=O)c1nccs1

InChI Key: InChIKey=QKNLMIPXSWFEPI-NRSZHQCHSA-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 = 50076949   

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))	BDBM50076949 ((S)-1-((R)-3-Cyclohexyl-2-ethanesulfonylamino-prop...) Show SMILES CCS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NC(CC1CCNCC1)C(=O)c1nccs1 Show InChI InChI=1S/C27H43N5O5S2/c1-2-39(36,37)31-22(18-19-7-4-3-5-8-19)27(35)32-15-6-9-23(32)25(34)30-21(17-20-10-12-28-13-11-20)24(33)26-29-14-16-38-26/h14,16,19-23,28,31H,2-13,15,17-18H2,1H3,(H,30,34)/t21?,22-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	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
Coagulation factor X (Homo sapiens (Human))	BDBM50076949 ((S)-1-((R)-3-Cyclohexyl-2-ethanesulfonylamino-prop...) Show SMILES CCS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NC(CC1CCNCC1)C(=O)c1nccs1 Show InChI InChI=1S/C27H43N5O5S2/c1-2-39(36,37)31-22(18-19-7-4-3-5-8-19)27(35)32-15-6-9-23(32)25(34)30-21(17-20-10-12-28-13-11-20)24(33)26-29-14-16-38-26/h14,16,19-23,28,31H,2-13,15,17-18H2,1H3,(H,30,34)/t21?,22-,23+/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	4.10E+3	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