BDBM345074 US9783530, 19::US9783530, 20::methyl {4-[(2-{5-[5- chloro-2-(1H-tetrazol-1- yl)phenyl]-1- oxidopyridin-2-yl}-3- phenylpropanoyl)amino] bicyclo[2.2.2]oct-1- yl}carbamate

SMILES: COC(=O)NC12CCC(CC1)(CC2)NC(=O)C(Cc1ccccc1)c1ccc(c[nH+]1)-c1cc(Cl)ccc1-n1cnnn1

InChI Key: InChIKey=YENCYTMZYKXKQX-UHFFFAOYSA-O

Data: 3 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 3 hits for monomerid = 345074   

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))	BDBM345074 (US9783530, 19 | US9783530, 20 | methyl {4-[(2-{5-[...) Show SMILES COC(=O)NC12CCC(CC1)(CC2)NC(=O)C(Cc1ccccc1)c1ccc(c[nH+]1)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C31H32ClN7O3/c1-42-29(41)36-31-14-11-30(12-15-31,13-16-31)35-28(40)25(17-21-5-3-2-4-6-21)26-9-7-22(19-33-26)24-18-23(32)8-10-27(24)39-20-34-37-38-39/h2-10,18-20,25H,11-17H2,1H3,(H,35,40)(H,36,41)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US9783530 (2017) BindingDB Entry DOI: 10.7270/Q2N87CXK
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM345074 (US9783530, 19 | US9783530, 20 | methyl {4-[(2-{5-[...) Show SMILES COC(=O)NC12CCC(CC1)(CC2)NC(=O)C(Cc1ccccc1)c1ccc(c[nH+]1)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C31H32ClN7O3/c1-42-29(41)36-31-14-11-30(12-15-31,13-16-31)35-28(40)25(17-21-5-3-2-4-6-21)26-9-7-22(19-33-26)24-18-23(32)8-10-27(24)39-20-34-37-38-39/h2-10,18-20,25H,11-17H2,1H3,(H,35,40)(H,36,41)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US9783530 (2017) BindingDB Entry DOI: 10.7270/Q2N87CXK
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM345074 (US9783530, 19 | US9783530, 20 | methyl {4-[(2-{5-[...) Show SMILES COC(=O)NC12CCC(CC1)(CC2)NC(=O)C(Cc1ccccc1)c1ccc(c[nH+]1)-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C31H32ClN7O3/c1-42-29(41)36-31-14-11-30(12-15-31,13-16-31)35-28(40)25(17-21-5-3-2-4-6-21)26-9-7-22(19-33-26)24-18-23(32)8-10-27(24)39-20-34-37-38-39/h2-10,18-20,25H,11-17H2,1H3,(H,35,40)(H,36,41)/p+1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; Fishe...				US Patent US9783530 (2017) BindingDB Entry DOI: 10.7270/Q2N87CXK
					More data for this Ligand-Target Pair