BDBM476441 2-chlorophenyl (3S)-4-(N-cyclohexyl- 6-piperidin-1-yl-D-norleucyl)-3- [(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 97

SMILES: Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN1CCCCC1)NC1CCCCC1

InChI Key: InChIKey=GWSOFATXHLQPNH-IHLOFXLRSA-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 = 476441   

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))	BDBM476441 (2-chlorophenyl (3S)-4-(N-cyclohexyl- 6-piperidin-1...) Show SMILES Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@@H](CCCCN1CCCCC1)NC1CCCCC1 |r| Show InChI InChI=1S/C34H48ClN5O4S/c35-28-15-5-6-17-31(28)44-34(43)39-21-22-40(30(25-39)32(41)36-24-27-14-11-23-45-27)33(42)29(37-26-12-3-1-4-13-26)16-7-10-20-38-18-8-2-9-19-38/h5-6,11,14-15,17,23,26,29-30,37H,1-4,7-10,12-13,16,18-22,24-25H2,(H,36,41)/t29-,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	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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