BDBM476522 (2S)-N-{[4-(aminomethyl)thiophen-2- yl]methyl}-1-[N-(1-methylethyl)-6- piperidin-1-yl-D-norleucyl]-4- [(4S,5S)-4-methyl-5-phenyl-4,5- dihydro-1,3-oxazol-2-yl]piperazine-2- carboxamide::US10875851, Example 178

SMILES: CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cc(CN)cs1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1

InChI Key: InChIKey=ZIKVBJJWZLYUKX-ONSVQELQSA-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 = 476522   

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))	BDBM476522 ((2S)-N-{[4-(aminomethyl)thiophen-2- yl]methyl}-1-[...) Show SMILES CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cc(CN)cs1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 |r,t:37| Show InChI InChI=1S/C35H53N7O3S/c1-25(2)38-30(14-8-11-17-40-15-9-5-10-16-40)34(44)42-19-18-41(35-39-26(3)32(45-35)28-12-6-4-7-13-28)23-31(42)33(43)37-22-29-20-27(21-36)24-46-29/h4,6-7,12-13,20,24-26,30-32,38H,5,8-11,14-19,21-23,36H2,1-3H3,(H,37,43)/t26-,30+,31-,32+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	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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