BDBM142917 US10487086, Example I-115::US8940720, I-115::US9802939, I-115

SMILES: COC(=O)Nc1ccc2-c3nc([nH]c3C#N)[C@H](CCCCCNc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1

InChI Key:

Data: 3 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 4 hits for monomerid = 142917   

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))	BDBM142917 (US10487086, Example I-115 | US11136327, Example I-...) Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C#N)[C@H](CCCCCNc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US8940720 (2015) BindingDB Entry DOI: 10.7270/Q2BK1B20
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM142917 (US10487086, Example I-115 | US11136327, Example I-...) Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C#N)[C@H](CCCCCNc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM142917 (US10487086, Example I-115 | US11136327, Example I-...) Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C#N)[C@H](CCCCCNc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...				US Patent US10487086 (2019) BindingDB Entry DOI: 10.7270/Q2JD5069
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM142917 (US10487086, Example I-115 | US11136327, Example I-...) Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C#N)[C@H](CCCCCNc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	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 US9802939 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q37
					More data for this Ligand-Target Pair