BDBM50076948 (R)-1-((3R,4R,4aR)-Decahydro-isoquinoline-1-carbonyl)-pyrrolidine-2-carboxylic acid ((S)-2-benzylcarbamoyl-2-oxo-1-piperidin-4-ylmethyl-ethyl)-amide::CHEMBL20614

SMILES: O=C(N[C@@H](CC1CCNCC1)C(=O)C(=O)NCc1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1NCC[C@H]2CCCC[C@@H]12

InChI Key: InChIKey=WJAVJDNRILGCRZ-IURCNINISA-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 = 50076948   

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))	BDBM50076948 ((R)-1-((3R,4R,4aR)-Decahydro-isoquinoline-1-carbon...) Show SMILES O=C(N[C@@H](CC1CCNCC1)C(=O)C(=O)NCc1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1NCC[C@H]2CCCC[C@@H]12 Show InChI InChI=1S/C31H45N5O4/c37-28(30(39)34-20-22-7-2-1-3-8-22)25(19-21-12-15-32-16-13-21)35-29(38)26-11-6-18-36(26)31(40)27-24-10-5-4-9-23(24)14-17-33-27/h1-3,7-8,21,23-27,32-33H,4-6,9-20H2,(H,34,39)(H,35,38)/t23-,24-,25+,26-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	48	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))	BDBM50076948 ((R)-1-((3R,4R,4aR)-Decahydro-isoquinoline-1-carbon...) Show SMILES O=C(N[C@@H](CC1CCNCC1)C(=O)C(=O)NCc1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1NCC[C@H]2CCCC[C@@H]12 Show InChI InChI=1S/C31H45N5O4/c37-28(30(39)34-20-22-7-2-1-3-8-22)25(19-21-12-15-32-16-13-21)35-29(38)26-11-6-18-36(26)31(40)27-24-10-5-4-9-23(24)14-17-33-27/h1-3,7-8,21,23-27,32-33H,4-6,9-20H2,(H,34,39)(H,35,38)/t23-,24-,25+,26-,27-/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	2.90E+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