BDBM13552 (2S)-2-[(2R)-2-[4-(benzyloxy)-3-methoxyphenyl]-2-[(4-carbamimidoylphenyl)amino]acetamido]-2-phenylacetic acid::phenylglycine amide compound 9::phenylglycine deriv. 1

SMILES: COc1cc(ccc1OCc1ccccc1)[C@@H](Nc1ccc(cc1)C(N)=N)C(=O)N[C@H](C(O)=O)c1ccccc1

InChI Key: InChIKey=WGEGXJPYFSZDMU-IZLXSDGUSA-N

Data: 8 KI

PDB links: 2 PDB IDs match 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 8 hits for monomerid = 13552   

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))	BDBM13552 ((2S)-2-[(2R)-2-[4-(benzyloxy)-3-methoxyphenyl]-2-[...) Show SMILES COc1cc(ccc1OCc1ccccc1)[C@@H](Nc1ccc(cc1)C(N)=N)C(=O)N[C@H](C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H30N4O5/c1-39-26-18-23(14-17-25(26)40-19-20-8-4-2-5-9-20)27(34-24-15-12-22(13-16-24)29(32)33)30(36)35-28(31(37)38)21-10-6-3-7-11-21/h2-18,27-28,34H,19H2,1H3,(H3,32,33)(H,35,36)(H,37,38)/t27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	4	-11.3	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)
Coagulation factor VII (Homo sapiens (Human))	BDBM13552 ((2S)-2-[(2R)-2-[4-(benzyloxy)-3-methoxyphenyl]-2-[...) Show SMILES COc1cc(ccc1OCc1ccccc1)[C@@H](Nc1ccc(cc1)C(N)=N)C(=O)N[C@H](C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H30N4O5/c1-39-26-18-23(14-17-25(26)40-19-20-8-4-2-5-9-20)27(34-24-15-12-22(13-16-24)29(32)33)30(36)35-28(31(37)38)21-10-6-3-7-11-21/h2-18,27-28,34H,19H2,1H3,(H3,32,33)(H,35,36)(H,37,38)/t27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	4	-11.3	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: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM13552 ((2S)-2-[(2R)-2-[4-(benzyloxy)-3-methoxyphenyl]-2-[...) Show SMILES COc1cc(ccc1OCc1ccccc1)[C@@H](Nc1ccc(cc1)C(N)=N)C(=O)N[C@H](C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H30N4O5/c1-39-26-18-23(14-17-25(26)40-19-20-8-4-2-5-9-20)27(34-24-15-12-22(13-16-24)29(32)33)30(36)35-28(31(37)38)21-10-6-3-7-11-21/h2-18,27-28,34H,19H2,1H3,(H3,32,33)(H,35,36)(H,37,38)/t27-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	35	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: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM13552 ((2S)-2-[(2R)-2-[4-(benzyloxy)-3-methoxyphenyl]-2-[...) Show SMILES COc1cc(ccc1OCc1ccccc1)[C@@H](Nc1ccc(cc1)C(N)=N)C(=O)N[C@H](C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H30N4O5/c1-39-26-18-23(14-17-25(26)40-19-20-8-4-2-5-9-20)27(34-24-15-12-22(13-16-24)29(32)33)30(36)35-28(31(37)38)21-10-6-3-7-11-21/h2-18,27-28,34H,19H2,1H3,(H3,32,33)(H,35,36)(H,37,38)/t27-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	35	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
Trypsin (Bos taurus (bovine))	BDBM13552 ((2S)-2-[(2R)-2-[4-(benzyloxy)-3-methoxyphenyl]-2-[...) Show SMILES COc1cc(ccc1OCc1ccccc1)[C@@H](Nc1ccc(cc1)C(N)=N)C(=O)N[C@H](C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H30N4O5/c1-39-26-18-23(14-17-25(26)40-19-20-8-4-2-5-9-20)27(34-24-15-12-22(13-16-24)29(32)33)30(36)35-28(31(37)38)21-10-6-3-7-11-21/h2-18,27-28,34H,19H2,1H3,(H3,32,33)(H,35,36)(H,37,38)/t27-,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	40	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
Trypsin (Bos taurus (bovine))	BDBM13552 ((2S)-2-[(2R)-2-[4-(benzyloxy)-3-methoxyphenyl]-2-[...) Show SMILES COc1cc(ccc1OCc1ccccc1)[C@@H](Nc1ccc(cc1)C(N)=N)C(=O)N[C@H](C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H30N4O5/c1-39-26-18-23(14-17-25(26)40-19-20-8-4-2-5-9-20)27(34-24-15-12-22(13-16-24)29(32)33)30(36)35-28(31(37)38)21-10-6-3-7-11-21/h2-18,27-28,34H,19H2,1H3,(H3,32,33)(H,35,36)(H,37,38)/t27-,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	40	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: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM13552 ((2S)-2-[(2R)-2-[4-(benzyloxy)-3-methoxyphenyl]-2-[...) Show SMILES COc1cc(ccc1OCc1ccccc1)[C@@H](Nc1ccc(cc1)C(N)=N)C(=O)N[C@H](C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H30N4O5/c1-39-26-18-23(14-17-25(26)40-19-20-8-4-2-5-9-20)27(34-24-15-12-22(13-16-24)29(32)33)30(36)35-28(31(37)38)21-10-6-3-7-11-21/h2-18,27-28,34H,19H2,1H3,(H3,32,33)(H,35,36)(H,37,38)/t27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	8.00E+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))	BDBM13552 ((2S)-2-[(2R)-2-[4-(benzyloxy)-3-methoxyphenyl]-2-[...) Show SMILES COc1cc(ccc1OCc1ccccc1)[C@@H](Nc1ccc(cc1)C(N)=N)C(=O)N[C@H](C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H30N4O5/c1-39-26-18-23(14-17-25(26)40-19-20-8-4-2-5-9-20)27(34-24-15-12-22(13-16-24)29(32)33)30(36)35-28(31(37)38)21-10-6-3-7-11-21/h2-18,27-28,34H,19H2,1H3,(H3,32,33)(H,35,36)(H,37,38)/t27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	8.00E+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: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair