null

SMILES: CCC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1

InChI Key: InChIKey=XMGACJAVDNSYFS-QHCPKHFHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 413737   

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))	BDBM413737 ((2S)-2-{4-[5-Chloro-2-(4-chloro-1H-1,2,3-triazol-1...) Show SMILES CCC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r| Show InChI InChI=1S/C27H25Cl2N7O3/c1-4-5-23(27(38)30-18-7-8-21-16(10-18)13-34(2)32-21)35-14-24(39-3)20(12-26(35)37)19-11-17(28)6-9-22(19)36-15-25(29)31-33-36/h6-15,23H,4-5H2,1-3H3,(H,30,38)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.840	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))	BDBM413737 ((2S)-2-{4-[5-Chloro-2-(4-chloro-1H-1,2,3-triazol-1...) Show SMILES CCC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r| Show InChI InChI=1S/C27H25Cl2N7O3/c1-4-5-23(27(38)30-18-7-8-21-16(10-18)13-34(2)32-21)35-14-24(39-3)20(12-26(35)37)19-11-17(28)6-9-22(19)36-15-25(29)31-33-36/h6-15,23H,4-5H2,1-3H3,(H,30,38)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.10	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))	BDBM413737 ((2S)-2-{4-[5-Chloro-2-(4-chloro-1H-1,2,3-triazol-1...) Show SMILES CCC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r| Show InChI InChI=1S/C27H25Cl2N7O3/c1-4-5-23(27(38)30-18-7-8-21-16(10-18)13-34(2)32-21)35-14-24(39-3)20(12-26(35)37)19-11-17(28)6-9-22(19)36-15-25(29)31-33-36/h6-15,23H,4-5H2,1-3H3,(H,30,38)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.840	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))	BDBM413737 ((2S)-2-{4-[5-Chloro-2-(4-chloro-1H-1,2,3-triazol-1...) Show SMILES CCC[C@@H](C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r| Show InChI InChI=1S/C27H25Cl2N7O3/c1-4-5-23(27(38)30-18-7-8-21-16(10-18)13-34(2)32-21)35-14-24(39-3)20(12-26(35)37)19-11-17(28)6-9-22(19)36-15-25(29)31-33-36/h6-15,23H,4-5H2,1-3H3,(H,30,38)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	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