BDBM289840 2-(Piperazin-1-yl)ethyl (4-(((2S)-1-(6-chloro-2-oxo-1,2-dihydrospiro[benzo[d][1,3]oxazine-4,3′-pyrrolidin]-1′-yl)-1-oxo-3-phenylpropan-2-yl)carbamoyl)phenyl)carbamate 2 trifluoroacetic acid salt::US10093683, Example 190

SMILES: Clc1ccc2NC(=O)OC3(CCN(C3)C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(NC(=O)OCCN4CCNCC4)cc3)c2c1

InChI Key: InChIKey=RHRGDHLCMVVARN-MIXNXMPVSA-N

Data: 1 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 1 hit for monomerid = 289840   

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 XI (Homo sapiens (Human))	BDBM289840 (2-(Piperazin-1-yl)ethyl (4-(((2S)-1-(6-chloro-2-ox...) Show SMILES Clc1ccc2NC(=O)OC3(CCN(C3)C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(NC(=O)OCCN4CCNCC4)cc3)c2c1 |r| Show InChI InChI=1S/C34H37ClN6O6/c35-25-8-11-28-27(21-25)34(47-33(45)39-28)12-15-41(22-34)31(43)29(20-23-4-2-1-3-5-23)38-30(42)24-6-9-26(10-7-24)37-32(44)46-19-18-40-16-13-36-14-17-40/h1-11,21,29,36H,12-20,22H2,(H,37,44)(H,38,42)(H,39,45)/t29-,34?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	76.7	-9.70	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair