BDBM50024354 CHEMBL3330444::US10106557, Compound 2

SMILES: [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCCCC1=O

InChI Key: InChIKey=JCTRHKZXDDIGIB-HOCLYGCPSA-N

Data: 5 KI  1 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 6 hits for monomerid = 50024354   

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 X (Homo sapiens (Human))	BDBM50024354 (CHEMBL3330444 | US10106557, Compound 2) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCCCC1=O |r| Show InChI InChI=1S/C21H20ClN3O5S/c22-18-7-6-17(31-18)20(27)23-10-16-14-11-29-15-9-12(24-8-2-1-3-19(24)26)4-5-13(15)25(14)21(28)30-16/h4-7,9,14,16H,1-3,8,10-11H2,(H,23,27)/t14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1.93	n/a	n/a	n/a	n/a	n/a	n/a	8.3	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on coagulation factor Xa activity in human was measured by using Tris-HCl buffer (50 mM, pH 8.3, 150 mM NaCl). A buffer of 50...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50024354 (CHEMBL3330444 | US10106557, Compound 2) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCCCC1=O |r| Show InChI InChI=1S/C21H20ClN3O5S/c22-18-7-6-17(31-18)20(27)23-10-16-14-11-29-15-9-12(24-8-2-1-3-19(24)26)4-5-13(15)25(14)21(28)30-16/h4-7,9,14,16H,1-3,8,10-11H2,(H,23,27)/t14-,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	4.22	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The activity of the compound to be tested against prothrombinase was determined by the production of thrombin. In summary, 12.5 μL human factor ...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Coagulation factor X (Rattus norvegicus (rat))	BDBM50024354 (CHEMBL3330444 | US10106557, Compound 2) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCCCC1=O |r| Show InChI InChI=1S/C21H20ClN3O5S/c22-18-7-6-17(31-18)20(27)23-10-16-14-11-29-15-9-12(24-8-2-1-3-19(24)26)4-5-13(15)25(14)21(28)30-16/h4-7,9,14,16H,1-3,8,10-11H2,(H,23,27)/t14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	4.45	n/a	n/a	n/a	n/a	n/a	n/a	8.3	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on coagulation factor Xa activity in rats was measured by using Tris-HCl buffer (50 mM, pH 8.3, 150 mM NaCl). A buffer of 50 ...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50024354 (CHEMBL3330444 | US10106557, Compound 2) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCCCC1=O |r| Show InChI InChI=1S/C21H20ClN3O5S/c22-18-7-6-17(31-18)20(27)23-10-16-14-11-29-15-9-12(24-8-2-1-3-19(24)26)4-5-13(15)25(14)21(28)30-16/h4-7,9,14,16H,1-3,8,10-11H2,(H,23,27)/t14-,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on human thrombin was determined by using a buffer (10 mM HEPES buffer, pH 7.4, 2 mM CaCl2). Appropriate wells in the Greiner...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50024354 (CHEMBL3330444 | US10106557, Compound 2) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCCCC1=O |r| Show InChI InChI=1S/C21H20ClN3O5S/c22-18-7-6-17(31-18)20(27)23-10-16-14-11-29-15-9-12(24-8-2-1-3-19(24)26)4-5-13(15)25(14)21(28)30-16/h4-7,9,14,16H,1-3,8,10-11H2,(H,23,27)/t14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	8.2	n/a
NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. US Patent					Assay Description The inhibitory activity on human trypsin was determined by using buffer (50 mM Tris, pH 8.2, and 20 mM CaCl2). Appropriate wells in the Greiner 384 m...				US Patent US10106557 (2018) BindingDB Entry DOI: 10.7270/Q2X63Q0W
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50024354 (CHEMBL3330444 | US10106557, Compound 2) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCCCC1=O |r| Show InChI InChI=1S/C21H20ClN3O5S/c22-18-7-6-17(31-18)20(27)23-10-16-14-11-29-15-9-12(24-8-2-1-3-19(24)26)4-5-13(15)25(14)21(28)30-16/h4-7,9,14,16H,1-3,8,10-11H2,(H,23,27)/t14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate				J Med Chem 57: 7770-91 (2014) Article DOI: 10.1021/jm501045e BindingDB Entry DOI: 10.7270/Q228095Z
					More data for this Ligand-Target Pair