null

SMILES: COc1cn(C(C)C(=O)Nc2ccc3nn(C)cc3c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(Cl)nn1

InChI Key: InChIKey=GBMNOBITEYOELC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 413793   

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))	BDBM413793 (2-{4-[5-Chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)p...) Show SMILES COc1cn(C(C)C(=O)Nc2ccc3nn(C)cc3c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(Cl)nn1 Show InChI InChI=1S/C25H21Cl2N7O3/c1-14(25(36)28-17-5-6-20-15(8-17)11-32(2)30-20)33-12-22(37-3)19(10-24(33)35)18-9-16(26)4-7-21(18)34-13-23(27)29-31-34/h4-14H,1-3H3,(H,28,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.650	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 US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM413793 (2-{4-[5-Chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)p...) Show SMILES COc1cn(C(C)C(=O)Nc2ccc3nn(C)cc3c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(Cl)nn1 Show InChI InChI=1S/C25H21Cl2N7O3/c1-14(25(36)28-17-5-6-20-15(8-17)11-32(2)30-20)33-12-22(37-3)19(10-24(33)35)18-9-16(26)4-7-21(18)34-13-23(27)29-31-34/h4-14H,1-3H3,(H,28,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	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))	BDBM413793 (2-{4-[5-Chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)p...) Show SMILES COc1cn(C(C)C(=O)Nc2ccc3nn(C)cc3c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(Cl)nn1 Show InChI InChI=1S/C25H21Cl2N7O3/c1-14(25(36)28-17-5-6-20-15(8-17)11-32(2)30-20)33-12-22(37-3)19(10-24(33)35)18-9-16(26)4-7-21(18)34-13-23(27)29-31-34/h4-14H,1-3H3,(H,28,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM413793 (2-{4-[5-Chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)p...) Show SMILES COc1cn(C(C)C(=O)Nc2ccc3nn(C)cc3c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(Cl)nn1 Show InChI InChI=1S/C25H21Cl2N7O3/c1-14(25(36)28-17-5-6-20-15(8-17)11-32(2)30-20)33-12-22(37-3)19(10-24(33)35)18-9-16(26)4-7-21(18)34-13-23(27)29-31-34/h4-14H,1-3H3,(H,28,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reac...				US Patent US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair