BDBM241548 US9409908, 180

SMILES: COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)C(F)CC[C@H](N3CCC(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1

InChI Key: InChIKey=QMJWWNVVTLEZIW-ALZQUROESA-N

Data: 2 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 2 hits for monomerid = 241548   

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 IX (Homo sapiens (Human))	BDBM241548 (US9409908, 180) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)C(F)CC[C@H](N3CCC(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,w:16.15,c:23| Show InChI InChI=1S/C31H28ClF3N4O4/c1-16-22(33)7-8-26(39-12-10-18(14-27(39)40)28-23(34)6-5-21(32)29(28)35)25-13-17(9-11-36-25)20-4-3-19(37-31(42)43-2)15-24(20)38-30(16)41/h3-6,9,11,13-16,22,26H,7-8,10,12H2,1-2H3,(H,37,42)(H,38,41)/t16-,22?,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.180	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM241548 (US9409908, 180) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)C(F)CC[C@H](N3CCC(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,w:16.15,c:23| Show InChI InChI=1S/C31H28ClF3N4O4/c1-16-22(33)7-8-26(39-12-10-18(14-27(39)40)28-23(34)6-5-21(32)29(28)35)25-13-17(9-11-36-25)20-4-3-19(37-31(42)43-2)15-24(20)38-30(16)41/h3-6,9,11,13-16,22,26H,7-8,10,12H2,1-2H3,(H,37,42)(H,38,41)/t16-,22?,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.42	-12.2	n/a	n/a	n/a	n/a	n/a	n/a	37
Bristol-Myers Squibb Company US Patent					Assay Description Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair