BDBM50068985 CHEMBL3403477

SMILES: CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C(C)=O

InChI Key: InChIKey=TUTCLMQSHVOKFK-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50068985   

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 VII (Homo sapiens (Human))	BDBM50068985 (CHEMBL3403477) Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C(C)=O Show InChI InChI=1S/C30H32FN5O3/c1-5-38-21-14-24(27(31)26(15-21)39-17(2)3)28(35-20-12-10-19(11-13-20)29(32)33)30-34-16-25(36-30)23-9-7-6-8-22(23)18(4)37/h6-17,28,35H,5H2,1-4H3,(H3,32,33)(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate				Bioorg Med Chem Lett 25: 2169-73 (2015) Article DOI: 10.1016/j.bmcl.2015.03.062 BindingDB Entry DOI: 10.7270/Q2GQ70FP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50068985 (CHEMBL3403477) Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C(C)=O Show InChI InChI=1S/C30H32FN5O3/c1-5-38-21-14-24(27(31)26(15-21)39-17(2)3)28(35-20-12-10-19(11-13-20)29(32)33)30-34-16-25(36-30)23-9-7-6-8-22(23)18(4)37/h6-17,28,35H,5H2,1-4H3,(H3,32,33)(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Inhibition of factor 10a (unknown origin)				Bioorg Med Chem Lett 25: 2169-73 (2015) Article DOI: 10.1016/j.bmcl.2015.03.062 BindingDB Entry DOI: 10.7270/Q2GQ70FP
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50068985 (CHEMBL3403477) Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C(C)=O Show InChI InChI=1S/C30H32FN5O3/c1-5-38-21-14-24(27(31)26(15-21)39-17(2)3)28(35-20-12-10-19(11-13-20)29(32)33)30-34-16-25(36-30)23-9-7-6-8-22(23)18(4)37/h6-17,28,35H,5H2,1-4H3,(H3,32,33)(H,34,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin)				Bioorg Med Chem Lett 25: 2169-73 (2015) Article DOI: 10.1016/j.bmcl.2015.03.062 BindingDB Entry DOI: 10.7270/Q2GQ70FP
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50068985 (CHEMBL3403477) Show SMILES CCOc1cc(OC(C)C)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)c1nc(c[nH]1)-c1ccccc1C(C)=O Show InChI InChI=1S/C30H32FN5O3/c1-5-38-21-14-24(27(31)26(15-21)39-17(2)3)28(35-20-12-10-19(11-13-20)29(32)33)30-34-16-25(36-30)23-9-7-6-8-22(23)18(4)37/h6-17,28,35H,5H2,1-4H3,(H3,32,33)(H,34,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Inhibition of factor 2a (unknown origin)				Bioorg Med Chem Lett 25: 2169-73 (2015) Article DOI: 10.1016/j.bmcl.2015.03.062 BindingDB Entry DOI: 10.7270/Q2GQ70FP
					More data for this Ligand-Target Pair