BDBM50205843 CHEMBL3978216

SMILES: COc1ccc2cc1[C@@H](C)CN(C)C(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2ccc3c(N)ncc(F)c3c2)c1)S(=O)(=O)C1CC1

InChI Key: InChIKey=DRLAOAUSFABNAU-QPHCHLROSA-N

Data: 2 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 2 hits for monomerid = 50205843   

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 III/Factor VIIa (fVIIa) (Homo sapiens (Human))	BDBM50205843 (CHEMBL3978216) Show SMILES COc1ccc2cc1[C@@H](C)CN(C)C(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2ccc3c(N)ncc(F)c3c2)c1)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C34H37FN6O5S/c1-19-17-41(3)34(43)39-22-7-12-30(47(44,45)24-8-9-24)21(13-22)18-40(2)33(42)31(20-5-11-29(46-4)26(19)14-20)38-23-6-10-25-27(15-23)28(35)16-37-32(25)36/h5-7,10-16,19,24,31,38H,8-9,17-18H2,1-4H3,(H2,36,37)(H,39,43)/t19-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 37 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa) (Homo sapiens (Human))	BDBM50205843 (CHEMBL3978216) Show SMILES COc1ccc2cc1[C@@H](C)CN(C)C(=O)Nc1ccc(c(CN(C)C(=O)[C@@H]2Nc2ccc3c(N)ncc(F)c3c2)c1)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C34H37FN6O5S/c1-19-17-41(3)34(43)39-22-7-12-30(47(44,45)24-8-9-24)21(13-22)18-40(2)33(42)31(20-5-11-29(46-4)26(19)14-20)38-23-6-10-25-27(15-23)28(35)16-37-32(25)36/h5-7,10-16,19,24,31,38H,8-9,17-18H2,1-4H3,(H2,36,37)(H,39,43)/t19-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 25 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair