BDBM357048 US10214512, Example 28::methyl (9-(5-(3-chloro-2- fluoro-6-(1h-tetrazol-1- yl)phenyl)pyridin-2-yl)-4-oxo- 3-aza-1(1,3),2(1,2)- dibenzenacyclononaphane-24- yl)carbamate

SMILES: COC(=O)Nc1ccc-2c(NC(=O)CCCCC(c3cccc-2c3)c2ccc(cn2)-c2c(F)c(Cl)ccc2-n2cnnn2)c1

InChI Key: InChIKey=LWSVGTWSIPMVFX-UHFFFAOYSA-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 = 357048   

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 XI (Homo sapiens (Human))	BDBM357048 (US10214512, Example 28 | methyl (9-(5-(3-chloro-2-...) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CCCCC(c3cccc-2c3)c2ccc(cn2)-c2c(F)c(Cl)ccc2-n2cnnn2)c1 Show InChI InChI=1S/C32H27ClFN7O3/c1-44-32(43)37-22-10-11-24-20-6-4-5-19(15-20)23(7-2-3-8-29(42)38-27(24)16-22)26-13-9-21(17-35-26)30-28(41-18-36-39-40-41)14-12-25(33)31(30)34/h4-6,9-18,23H,2-3,7-8H2,1H3,(H,37,43)(H,38,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.240	n/a	n/a	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 XIa can be determined using a relevant purified serine...				US Patent US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN
					More data for this Ligand-Target Pair
Kallikrein 1 (Homo sapiens (Human))	BDBM357048 (US10214512, Example 28 | methyl (9-(5-(3-chloro-2-...) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CCCCC(c3cccc-2c3)c2ccc(cn2)-c2c(F)c(Cl)ccc2-n2cnnn2)c1 Show InChI InChI=1S/C32H27ClFN7O3/c1-44-32(43)37-22-10-11-24-20-6-4-5-19(15-20)23(7-2-3-8-29(42)38-27(24)16-22)26-13-9-21(17-35-26)30-28(41-18-36-39-40-41)14-12-25(33)31(30)34/h4-6,9-18,23H,2-3,7-8H2,1H3,(H,37,43)(H,38,42)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.57	n/a	n/a	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 Kallikrein can be determined using a relevant purified serine protease, a...				US Patent US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN
					More data for this Ligand-Target Pair