BDBM289824 US10093683, Example 129A::US10093683, Example 129B

SMILES: COC(=O)Nc1ccc(cc1)-c1nnc(o1)C(Cc1ccccc1)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21

InChI Key: InChIKey=KAMJPVPVOULBJY-QOWRFBDLSA-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 = 289824   

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))	BDBM289824 (US10093683, Example 129A | US10093683, Example 129...) Show SMILES COC(=O)Nc1ccc(cc1)-c1nnc(o1)C(Cc1ccccc1)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r| Show InChI InChI=1S/C30H25ClFN5O6/c1-41-28(39)33-19-9-7-18(8-10-19)25-35-36-26(42-25)20(15-17-5-3-2-4-6-17)27(38)37-14-13-30(16-37)23-22(34-29(40)43-30)12-11-21(31)24(23)32/h2-12,20H,13-16H2,1H3,(H,33,39)(H,34,40)/t20?,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	320	-8.85	n/a	n/a	n/a	n/a	n/a	7.4	25
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 US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM289824 (US10093683, Example 129A | US10093683, Example 129...) Show SMILES COC(=O)Nc1ccc(cc1)-c1nnc(o1)C(Cc1ccccc1)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r| Show InChI InChI=1S/C30H25ClFN5O6/c1-41-28(39)33-19-9-7-18(8-10-19)25-35-36-26(42-25)20(15-17-5-3-2-4-6-17)27(38)37-14-13-30(16-37)23-22(34-29(40)43-30)12-11-21(31)24(23)32/h2-12,20H,13-16H2,1H3,(H,33,39)(H,34,40)/t20?,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>875	>-8.26	n/a	n/a	n/a	n/a	n/a	7.4	25
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 US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair