BDBM7841 BAY 59-7939 Analog 18::US8822458, 45::US9359341, Rivaroxaban

SMILES: Cc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O

InChI Key: InChIKey=YWRVKEHHSZEJNV-INIZCTEOSA-N

Data: 7 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 7 hits for monomerid = 7841   

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))	BDBM7841 (BAY 59-7939 Analog 18 | US8822458, 45 | US9359341,...) Show SMILES Cc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r| Show InChI InChI=1S/C20H21N3O5S/c1-13-2-7-17(29-13)19(25)21-10-16-11-23(20(26)28-16)15-5-3-14(4-6-15)22-8-9-27-12-18(22)24/h2-7,16H,8-12H2,1H3,(H,21,25)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	25
Bayer Intellectual Property GmbH US Patent					Assay Description The enzymatic activity of human factor Xa (FXa) was measured using the conversion of a chromogenic substrate specific for FXa. Factor Xa cleaves p-ni...				US Patent US8822458 (2014) BindingDB Entry DOI: 10.7270/Q2VH5MJ2
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM7841 (BAY 59-7939 Analog 18 | US8822458, 45 | US9359341,...) Show SMILES Cc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r| Show InChI InChI=1S/C20H21N3O5S/c1-13-2-7-17(29-13)19(25)21-10-16-11-23(20(26)28-16)15-5-3-14(4-6-15)22-8-9-27-12-18(22)24/h2-7,16H,8-12H2,1H3,(H,21,25)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG					Assay Description The enzymatic activity was measured using chromogenic or fluorogenic substrates in 96-well microtiter plates.Color change was monitored continuously ...				J Med Chem 48: 5900-8 (2005) Article DOI: 10.1021/jm050101d BindingDB Entry DOI: 10.7270/Q2J38QR6
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM7841 (BAY 59-7939 Analog 18 | US8822458, 45 | US9359341,...) Show SMILES Cc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r| Show InChI InChI=1S/C20H21N3O5S/c1-13-2-7-17(29-13)19(25)21-10-16-11-23(20(26)28-16)15-5-3-14(4-6-15)22-8-9-27-12-18(22)24/h2-7,16H,8-12H2,1H3,(H,21,25)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.89E+4	n/a	n/a	n/a	n/a	7.4	37
WANBURY LTD. US Patent					Assay Description Incubation of phenacetin, diclofenac, dextromethorphan, mephenotoin, albendazole and testosterone with human liver microsomes in the presence of in e...				US Patent US9359341 (2016) BindingDB Entry DOI: 10.7270/Q29Z93S1
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM7841 (BAY 59-7939 Analog 18 | US8822458, 45 | US9359341,...) Show SMILES Cc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r| Show InChI InChI=1S/C20H21N3O5S/c1-13-2-7-17(29-13)19(25)21-10-16-11-23(20(26)28-16)15-5-3-14(4-6-15)22-8-9-27-12-18(22)24/h2-7,16H,8-12H2,1H3,(H,21,25)/t16-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	7.4	37
WANBURY LTD. US Patent					Assay Description Incubation of phenacetin, diclofenac, dextromethorphan, mephenotoin, albendazole and testosterone with human liver microsomes in the presence of in e...				US Patent US9359341 (2016) BindingDB Entry DOI: 10.7270/Q29Z93S1
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM7841 (BAY 59-7939 Analog 18 | US8822458, 45 | US9359341,...) Show SMILES Cc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r| Show InChI InChI=1S/C20H21N3O5S/c1-13-2-7-17(29-13)19(25)21-10-16-11-23(20(26)28-16)15-5-3-14(4-6-15)22-8-9-27-12-18(22)24/h2-7,16H,8-12H2,1H3,(H,21,25)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	7.4	37
WANBURY LTD. US Patent					Assay Description Incubation of phenacetin, diclofenac, dextromethorphan, mephenotoin, albendazole and testosterone with human liver microsomes in the presence of in e...				US Patent US9359341 (2016) BindingDB Entry DOI: 10.7270/Q29Z93S1
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM7841 (BAY 59-7939 Analog 18 | US8822458, 45 | US9359341,...) Show SMILES Cc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r| Show InChI InChI=1S/C20H21N3O5S/c1-13-2-7-17(29-13)19(25)21-10-16-11-23(20(26)28-16)15-5-3-14(4-6-15)22-8-9-27-12-18(22)24/h2-7,16H,8-12H2,1H3,(H,21,25)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	7.4	37
WANBURY LTD. US Patent					Assay Description Incubation of phenacetin, diclofenac, dextromethorphan, mephenotoin, albendazole and testosterone with human liver microsomes in the presence of in e...				US Patent US9359341 (2016) BindingDB Entry DOI: 10.7270/Q29Z93S1
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM7841 (BAY 59-7939 Analog 18 | US8822458, 45 | US9359341,...) Show SMILES Cc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r| Show InChI InChI=1S/C20H21N3O5S/c1-13-2-7-17(29-13)19(25)21-10-16-11-23(20(26)28-16)15-5-3-14(4-6-15)22-8-9-27-12-18(22)24/h2-7,16H,8-12H2,1H3,(H,21,25)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	7.4	37
WANBURY LTD. US Patent					Assay Description Incubation of phenacetin, diclofenac, dextromethorphan, mephenotoin, albendazole and testosterone with human liver microsomes in the presence of in e...				US Patent US9359341 (2016) BindingDB Entry DOI: 10.7270/Q29Z93S1
					More data for this Ligand-Target Pair