BDBM50126579 2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[(S)-1-(3-methoxy-phenyl)-ethyl]-acetamide::2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[1-((S)-3-methoxy-phenyl)-ethyl]-acetamide::CHEMBL34887

SMILES: COc1cccc(c1)[C@H](C)NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N

InChI Key: InChIKey=GLFJKCDLOVHCTQ-LBPRGKRZSA-N

Data: 6 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 6 hits for monomerid = 50126579   

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))	BDBM50126579 (2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[(S)-1-(3-...) Show SMILES COc1cccc(c1)[C@H](C)NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C19H23N5O3/c1-12(14-4-3-5-16(10-14)27-2)23-17(25)11-22-19(26)24-15-8-6-13(7-9-15)18(20)21/h3-10,12H,11H2,1-2H3,(H3,20,21)(H,23,25)(H2,22,24,26)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description In vitro inhibitory activity against coagulation factor VII (fVIIa)				Bioorg Med Chem Lett 13: 1463-7 (2003) BindingDB Entry DOI: 10.7270/Q2Q52P1B
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50126579 (2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[(S)-1-(3-...) Show SMILES COc1cccc(c1)[C@H](C)NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C19H23N5O3/c1-12(14-4-3-5-16(10-14)27-2)23-17(25)11-22-19(26)24-15-8-6-13(7-9-15)18(20)21/h3-10,12H,11H2,1-2H3,(H3,20,21)(H,23,25)(H2,22,24,26)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description In vitro inhibition of human coagulation factor VIIa				Bioorg Med Chem Lett 14: 3715-20 (2004) Article DOI: 10.1016/j.bmcl.2004.05.006 BindingDB Entry DOI: 10.7270/Q2PG1R6T
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50126579 (2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[(S)-1-(3-...) Show SMILES COc1cccc(c1)[C@H](C)NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C19H23N5O3/c1-12(14-4-3-5-16(10-14)27-2)23-17(25)11-22-19(26)24-15-8-6-13(7-9-15)18(20)21/h3-10,12H,11H2,1-2H3,(H3,20,21)(H,23,25)(H2,22,24,26)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description In vitro inhibition of coagulation factor X				Bioorg Med Chem Lett 14: 3715-20 (2004) Article DOI: 10.1016/j.bmcl.2004.05.006 BindingDB Entry DOI: 10.7270/Q2PG1R6T
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50126579 (2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[(S)-1-(3-...) Show SMILES COc1cccc(c1)[C@H](C)NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C19H23N5O3/c1-12(14-4-3-5-16(10-14)27-2)23-17(25)11-22-19(26)24-15-8-6-13(7-9-15)18(20)21/h3-10,12H,11H2,1-2H3,(H3,20,21)(H,23,25)(H2,22,24,26)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description In vitro inhibitory activity against zymogen coagulation factor (fXa)				Bioorg Med Chem Lett 13: 1463-7 (2003) BindingDB Entry DOI: 10.7270/Q2Q52P1B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126579 (2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[(S)-1-(3-...) Show SMILES COc1cccc(c1)[C@H](C)NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C19H23N5O3/c1-12(14-4-3-5-16(10-14)27-2)23-17(25)11-22-19(26)24-15-8-6-13(7-9-15)18(20)21/h3-10,12H,11H2,1-2H3,(H3,20,21)(H,23,25)(H2,22,24,26)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description In vitro inhibitory activity against thrombin				Bioorg Med Chem Lett 13: 1463-7 (2003) BindingDB Entry DOI: 10.7270/Q2Q52P1B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126579 (2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[(S)-1-(3-...) Show SMILES COc1cccc(c1)[C@H](C)NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C19H23N5O3/c1-12(14-4-3-5-16(10-14)27-2)23-17(25)11-22-19(26)24-15-8-6-13(7-9-15)18(20)21/h3-10,12H,11H2,1-2H3,(H3,20,21)(H,23,25)(H2,22,24,26)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description In vitro inhibition of thrombin				Bioorg Med Chem Lett 14: 3715-20 (2004) Article DOI: 10.1016/j.bmcl.2004.05.006 BindingDB Entry DOI: 10.7270/Q2PG1R6T
					More data for this Ligand-Target Pair