BDBM50024356 CHEMBL3330442

SMILES: [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O

InChI Key: InChIKey=FAHBXTXHOUMNTM-ZFWWWQNUSA-N

Data: 13 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 13 hits for monomerid = 50024356   

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))	BDBM50024356 (CHEMBL3330442) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r| Show InChI InChI=1S/C20H18ClN3O6S/c21-17-4-3-16(31-17)19(26)22-8-15-13-9-29-14-7-11(23-5-6-28-10-18(23)25)1-2-12(14)24(13)20(27)30-15/h1-4,7,13,15H,5-6,8-10H2,(H,22,26)/t13-,15-/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	3.40	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
Prothrombin (Homo sapiens (Human))	BDBM50024356 (CHEMBL3330442) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r| Show InChI InChI=1S/C20H18ClN3O6S/c21-17-4-3-16(31-17)19(26)22-8-15-13-9-29-14-7-11(23-5-6-28-10-18(23)25)1-2-12(14)24(13)20(27)30-15/h1-4,7,13,15H,5-6,8-10H2,(H,22,26)/t13-,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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 2a using L-pyro-Glu-Pro-ArgpNA, S-2366 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
Coagulation factor VII (Homo sapiens (Human))	BDBM50024356 (CHEMBL3330442) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r| Show InChI InChI=1S/C20H18ClN3O6S/c21-17-4-3-16(31-17)19(26)22-8-15-13-9-29-14-7-11(23-5-6-28-10-18(23)25)1-2-12(14)24(13)20(27)30-15/h1-4,7,13,15H,5-6,8-10H2,(H,22,26)/t13-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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 7a using S-2366 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
Coagulation factor IX (Homo sapiens (Human))	BDBM50024356 (CHEMBL3330442) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r| Show InChI InChI=1S/C20H18ClN3O6S/c21-17-4-3-16(31-17)19(26)22-8-15-13-9-29-14-7-11(23-5-6-28-10-18(23)25)1-2-12(14)24(13)20(27)30-15/h1-4,7,13,15H,5-6,8-10H2,(H,22,26)/t13-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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 9a using CH3SO2-(D)CHG Gly-Arg-pNA, Biophen-CS51 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
Trypsin (Homo sapiens (Human))	BDBM50024356 (CHEMBL3330442) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r| Show InChI InChI=1S/C20H18ClN3O6S/c21-17-4-3-16(31-17)19(26)22-8-15-13-9-29-14-7-11(23-5-6-28-10-18(23)25)1-2-12(14)24(13)20(27)30-15/h1-4,7,13,15H,5-6,8-10H2,(H,22,26)/t13-,15-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human trypsin 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
Coagulation factor XI (Homo sapiens (Human))	BDBM50024356 (CHEMBL3330442) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r| Show InChI InChI=1S/C20H18ClN3O6S/c21-17-4-3-16(31-17)19(26)22-8-15-13-9-29-14-7-11(23-5-6-28-10-18(23)25)1-2-12(14)24(13)20(27)30-15/h1-4,7,13,15H,5-6,8-10H2,(H,22,26)/t13-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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 11a using S-2366 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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50024356 (CHEMBL3330442) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r| Show InChI InChI=1S/C20H18ClN3O6S/c21-17-4-3-16(31-17)19(26)22-8-15-13-9-29-14-7-11(23-5-6-28-10-18(23)25)1-2-12(14)24(13)20(27)30-15/h1-4,7,13,15H,5-6,8-10H2,(H,22,26)/t13-,15-/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	8.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				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
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50024356 (CHEMBL3330442) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r| Show InChI InChI=1S/C20H18ClN3O6S/c21-17-4-3-16(31-17)19(26)22-8-15-13-9-29-14-7-11(23-5-6-28-10-18(23)25)1-2-12(14)24(13)20(27)30-15/h1-4,7,13,15H,5-6,8-10H2,(H,22,26)/t13-,15-/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				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
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50024356 (CHEMBL3330442) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r| Show InChI InChI=1S/C20H18ClN3O6S/c21-17-4-3-16(31-17)19(26)22-8-15-13-9-29-14-7-11(23-5-6-28-10-18(23)25)1-2-12(14)24(13)20(27)30-15/h1-4,7,13,15H,5-6,8-10H2,(H,22,26)/t13-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50024356 (CHEMBL3330442) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r| Show InChI InChI=1S/C20H18ClN3O6S/c21-17-4-3-16(31-17)19(26)22-8-15-13-9-29-14-7-11(23-5-6-28-10-18(23)25)1-2-12(14)24(13)20(27)30-15/h1-4,7,13,15H,5-6,8-10H2,(H,22,26)/t13-,15-/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	4.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				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
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50024356 (CHEMBL3330442) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r| Show InChI InChI=1S/C20H18ClN3O6S/c21-17-4-3-16(31-17)19(26)22-8-15-13-9-29-14-7-11(23-5-6-28-10-18(23)25)1-2-12(14)24(13)20(27)30-15/h1-4,7,13,15H,5-6,8-10H2,(H,22,26)/t13-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50024356 (CHEMBL3330442) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r| Show InChI InChI=1S/C20H18ClN3O6S/c21-17-4-3-16(31-17)19(26)22-8-15-13-9-29-14-7-11(23-5-6-28-10-18(23)25)1-2-12(14)24(13)20(27)30-15/h1-4,7,13,15H,5-6,8-10H2,(H,22,26)/t13-,15-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50024356 (CHEMBL3330442) Show SMILES [H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r| Show InChI InChI=1S/C20H18ClN3O6S/c21-17-4-3-16(31-17)19(26)22-8-15-13-9-29-14-7-11(23-5-6-28-10-18(23)25)1-2-12(14)24(13)20(27)30-15/h1-4,7,13,15H,5-6,8-10H2,(H,22,26)/t13-,15-/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	7.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				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