BDBM303807 4-{[2-(11′-Chloro-2′,5′-dioxo-2′,5′,6′,8′-tetrahydro-3′H-spiro[cyclopropane-1,7′-pyrido[3,4-e][3]benzazocine]-3′-yl)-3-(trans-4-methoxycyclohexyl)propanoyl]amino}benzoic acid (Stereoisomer Mixture)::US10138236, Example 25

SMILES: CO[C@H]1CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)n2cc3c(cc2=O)-c2cc(Cl)ccc2CC2(CC2)NC3=O)CC1

InChI Key: InChIKey=QINUWAZYQLMKQU-UNKRNVDUSA-N

Data: 2 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 2 hits for monomerid = 303807   

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
Plasma kallikrein (Homo sapiens (Human))	BDBM303807 (4-{[2-(11′-Chloro-2′,5′-dioxo-2&...) Show SMILES CO[C@H]1CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)n2cc3c(cc2=O)-c2cc(Cl)ccc2CC2(CC2)NC3=O)CC1 |r,wU:2.1,wD:5.5,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;$,(6.38,5.01,;5.05,5.78,;3.71,5,;3.71,3.46,;2.38,2.7,;1.05,3.46,;-.29,2.69,;-.29,1.15,;1.05,.38,;1.05,-1.16,;2.38,1.15,;3.71,.38,;5.05,1.15,;6.38,.38,;6.38,-1.16,;5.05,-1.93,;3.71,-1.16,;7.71,-1.92,;9.05,-1.15,;7.71,-3.46,;-1.62,.38,;-2.95,1.15,;-4.29,.38,;-4.29,-1.16,;-2.95,-1.93,;-1.62,-1.16,;-.29,-1.93,;-5.62,-1.93,;-5.62,-3.47,;-6.96,-4.24,;-6.96,-5.78,;-8.29,-3.47,;-8.29,-1.93,;-6.96,-1.16,;-7.91,.01,;-7.51,1.5,;-9.05,1.5,;-8.28,2.83,;-6.17,2.27,;-4.69,1.87,;-3.6,2.96,;1.05,5,;2.38,5.77,)| Show InChI InChI=1S/C33H34ClN3O6/c1-43-24-10-2-19(3-11-24)14-28(31(40)35-23-8-5-20(6-9-23)32(41)42)37-18-27-26(16-29(37)38)25-15-22(34)7-4-21(25)17-33(12-13-33)36-30(27)39/h4-9,15-16,18-19,24,28H,2-3,10-14,17H2,1H3,(H,35,40)(H,36,39)(H,41,42)/t19-,24-,28?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description o determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the react...				US Patent US10138236 (2018) BindingDB Entry DOI: 10.7270/Q2445PH4
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM303807 (4-{[2-(11′-Chloro-2′,5′-dioxo-2&...) Show SMILES CO[C@H]1CC[C@H](CC(C(=O)Nc2ccc(cc2)C(O)=O)n2cc3c(cc2=O)-c2cc(Cl)ccc2CC2(CC2)NC3=O)CC1 |r,wU:2.1,wD:5.5,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;$,(6.38,5.01,;5.05,5.78,;3.71,5,;3.71,3.46,;2.38,2.7,;1.05,3.46,;-.29,2.69,;-.29,1.15,;1.05,.38,;1.05,-1.16,;2.38,1.15,;3.71,.38,;5.05,1.15,;6.38,.38,;6.38,-1.16,;5.05,-1.93,;3.71,-1.16,;7.71,-1.92,;9.05,-1.15,;7.71,-3.46,;-1.62,.38,;-2.95,1.15,;-4.29,.38,;-4.29,-1.16,;-2.95,-1.93,;-1.62,-1.16,;-.29,-1.93,;-5.62,-1.93,;-5.62,-3.47,;-6.96,-4.24,;-6.96,-5.78,;-8.29,-3.47,;-8.29,-1.93,;-6.96,-1.16,;-7.91,.01,;-7.51,1.5,;-9.05,1.5,;-8.28,2.83,;-6.17,2.27,;-4.69,1.87,;-3.6,2.96,;1.05,5,;2.38,5.77,)| Show InChI InChI=1S/C33H34ClN3O6/c1-43-24-10-2-19(3-11-24)14-28(31(40)35-23-8-5-20(6-9-23)32(41)42)37-18-27-26(16-29(37)38)25-15-22(34)7-4-21(25)17-33(12-13-33)36-30(27)39/h4-9,15-16,18-19,24,28H,2-3,10-14,17H2,1H3,(H,35,40)(H,36,39)(H,41,42)/t19-,24-,28?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The factor XIa inhibition of the substances according to the invention is determined using a biochemical test system which utilizes the reaction of a...				US Patent US10138236 (2018) BindingDB Entry DOI: 10.7270/Q2445PH4
					More data for this Ligand-Target Pair