BDBM476527 (2S)-[N-cyclohexyl-3-(1- cyclohexylpiperidin-4-yl)-D-alanyl]-4- [(4S,5S)-4-methyl-5-phenyl-4,5- dihydro-1,3-oxazol-2-yl]-N-(thiophen- 2-ylmethyl)piperazine-2-carboxamide::US10875851, Example 183

SMILES: C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCN(CC1)C1CCCCC1)NC1CCCCC1

InChI Key: InChIKey=MZZSMZKJVSVWTK-GTPNLVIDSA-N

Data: 1 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 1 hit for monomerid = 476527   

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 XII (Homo sapiens (Human))	BDBM476527 ((2S)-[N-cyclohexyl-3-(1- cyclohexylpiperidin-4-yl)...) Show SMILES C[C@@H]1N=C(O[C@H]1c1ccccc1)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CC1CCN(CC1)C1CCCCC1)NC1CCCCC1 |r,c:2| Show InChI InChI=1S/C40H58N6O3S/c1-29-37(31-12-5-2-6-13-31)49-40(42-29)45-23-24-46(36(28-45)38(47)41-27-34-18-11-25-50-34)39(48)35(43-32-14-7-3-8-15-32)26-30-19-21-44(22-20-30)33-16-9-4-10-17-33/h2,5-6,11-13,18,25,29-30,32-33,35-37,43H,3-4,7-10,14-17,19-24,26-28H2,1H3,(H,41,47)/t29-,35+,36-,37+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIIa can be determined using a relevant purified serin...				US Patent US10875851 (2020)
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