BDBM50191347 CHEMBL3907376

SMILES: C[C@H]1COC(=O)Nc2cccc(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2

InChI Key: InChIKey=WGWNPJIMCIPPBO-UZTOHYMASA-N

Data: 5 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 5 hits for monomerid = 50191347   

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))	BDBM50191347 (CHEMBL3907376) Show SMILES C[C@H]1COC(=O)Nc2cccc(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2 |r| Show InChI InChI=1S/C30H31N5O3/c1-18-13-22-7-9-25(18)19(2)17-38-30(37)34-23-6-4-5-20(14-23)16-35(3)29(36)27(22)33-24-8-10-26-21(15-24)11-12-32-28(26)31/h4-15,19,27,33H,16-17H2,1-3H3,(H2,31,32)(H,34,37)/t19-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	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 full-length human TF/recombinant human factor 7a assessed as decrease in conversion of factor 10 to factor 10a by measuring S2765 hydro...				J Med Chem 59: 7125-37 (2016) BindingDB Entry DOI: 10.7270/Q2TM7D37
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM50191347 (CHEMBL3907376) Show SMILES C[C@H]1COC(=O)Nc2cccc(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2 |r| Show InChI InChI=1S/C30H31N5O3/c1-18-13-22-7-9-25(18)19(2)17-38-30(37)34-23-6-4-5-20(14-23)16-35(3)29(36)27(22)33-24-8-10-26-21(15-24)11-12-32-28(26)31/h4-15,19,27,33H,16-17H2,1-3H3,(H2,31,32)(H,34,37)/t19-,27+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	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 HK1 using H-D-Val-Leu-Arg-AFC as substrate assessed as release of AFC after 10 to 120 mins by spectrofluorimetric method				J Med Chem 59: 7125-37 (2016) BindingDB Entry DOI: 10.7270/Q2TM7D37
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50191347 (CHEMBL3907376) Show SMILES C[C@H]1COC(=O)Nc2cccc(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2 |r| Show InChI InChI=1S/C30H31N5O3/c1-18-13-22-7-9-25(18)19(2)17-38-30(37)34-23-6-4-5-20(14-23)16-35(3)29(36)27(22)33-24-8-10-26-21(15-24)11-12-32-28(26)31/h4-15,19,27,33H,16-17H2,1-3H3,(H2,31,32)(H,34,37)/t19-,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	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 11a using pyroGlu-Pro-Arg-pNA as substrate assessed as release of pNA after 10 to 120 mins by spectrophotometric method				J Med Chem 59: 7125-37 (2016) BindingDB Entry DOI: 10.7270/Q2TM7D37
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50191347 (CHEMBL3907376) Show SMILES C[C@H]1COC(=O)Nc2cccc(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2 |r| Show InChI InChI=1S/C30H31N5O3/c1-18-13-22-7-9-25(18)19(2)17-38-30(37)34-23-6-4-5-20(14-23)16-35(3)29(36)27(22)33-24-8-10-26-21(15-24)11-12-32-28(26)31/h4-15,19,27,33H,16-17H2,1-3H3,(H2,31,32)(H,34,37)/t19-,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	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 10a using N-benzoyl-Ile-Glu-(OH,OMe)-Gly-Arg-pNA as substrate assessed as release of pNA after 10 to 120 mins by spectroph...				J Med Chem 59: 7125-37 (2016) BindingDB Entry DOI: 10.7270/Q2TM7D37
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50191347 (CHEMBL3907376) Show SMILES C[C@H]1COC(=O)Nc2cccc(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2 |r| Show InChI InChI=1S/C30H31N5O3/c1-18-13-22-7-9-25(18)19(2)17-38-30(37)34-23-6-4-5-20(14-23)16-35(3)29(36)27(22)33-24-8-10-26-21(15-24)11-12-32-28(26)31/h4-15,19,27,33H,16-17H2,1-3H3,(H2,31,32)(H,34,37)/t19-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	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 alpha-thrombin (unknown origin) using pyroGlu-Pro-Arg-pNA as substrate assessed as release of pNA after 10 to 120 mins by spectrophotom...				J Med Chem 59: 7125-37 (2016) BindingDB Entry DOI: 10.7270/Q2TM7D37
					More data for this Ligand-Target Pair