BDBM476459 (2S)-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]-N-(thiophen-2- ylmethyl)piperazine-2-carboxamide::US10875851, Example 115

SMILES: CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1

InChI Key: InChIKey=YIPMFJWNVCSJGT-KNXMMVSXSA-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 = 476459   

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))	BDBM476459 ((2S)-1-[N-(1-methylethyl)-6-piperidin- 1-yl-D-norl...) Show SMILES CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 |r,t:35| Show InChI InChI=1S/C34H50N6O3S/c1-25(2)36-29(16-8-11-19-38-17-9-5-10-18-38)33(42)40-21-20-39(24-30(40)32(41)35-23-28-15-12-22-44-28)34-37-26(3)31(43-34)27-13-6-4-7-14-27/h4,6-7,12-15,22,25-26,29-31,36H,5,8-11,16-21,23-24H2,1-3H3,(H,35,41)/t26-,29+,30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	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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