BDBM13575 N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-dimethoxyphenyl)acetamide::phenylglycine amide compound 1

SMILES: COc1ccc(cc1OC)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1

InChI Key: InChIKey=BMQMRSICTKGCCO-UHFFFAOYSA-N

Data: 4 KI

PDB links: 1 PDB ID matches this monomer.

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 = 13575   

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))	BDBM13575 (N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-d...) Show SMILES COc1ccc(cc1OC)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1 Show InChI InChI=1S/C24H26N4O3/c1-30-20-13-10-18(14-21(20)31-2)22(24(29)27-15-16-6-4-3-5-7-16)28-19-11-8-17(9-12-19)23(25)26/h3-14,22,28H,15H2,1-2H3,(H3,25,26)(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	350	-8.71	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 817-22 (2005) Article DOI: 10.1016/j.bmcl.2004.10.092 BindingDB Entry DOI: 10.7270/Q2SF2TFR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thrombin and coagulation factor X (Homo sapiens (Human))	BDBM13575 (N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-d...) Show SMILES COc1ccc(cc1OC)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1 Show InChI InChI=1S/C24H26N4O3/c1-30-20-13-10-18(14-21(20)31-2)22(24(29)27-15-16-6-4-3-5-7-16)28-19-11-8-17(9-12-19)23(25)26/h3-14,22,28H,15H2,1-2H3,(H3,25,26)(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid PDB UniChem Patents Similars	Article PubMed	460	-8.55	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 817-22 (2005) Article DOI: 10.1016/j.bmcl.2004.10.092 BindingDB Entry DOI: 10.7270/Q2SF2TFR
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM13575 (N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-d...) Show SMILES COc1ccc(cc1OC)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1 Show InChI InChI=1S/C24H26N4O3/c1-30-20-13-10-18(14-21(20)31-2)22(24(29)27-15-16-6-4-3-5-7-16)28-19-11-8-17(9-12-19)23(25)26/h3-14,22,28H,15H2,1-2H3,(H3,25,26)(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 817-22 (2005) Article DOI: 10.1016/j.bmcl.2004.10.092 BindingDB Entry DOI: 10.7270/Q2SF2TFR
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM13575 (N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-d...) Show SMILES COc1ccc(cc1OC)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1 Show InChI InChI=1S/C24H26N4O3/c1-30-20-13-10-18(14-21(20)31-2)22(24(29)27-15-16-6-4-3-5-7-16)28-19-11-8-17(9-12-19)23(25)26/h3-14,22,28H,15H2,1-2H3,(H3,25,26)(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 817-22 (2005) Article DOI: 10.1016/j.bmcl.2004.10.092 BindingDB Entry DOI: 10.7270/Q2SF2TFR
					More data for this Ligand-Target Pair