BDBM50092109 3-{(S)-3-[1-(4-Carbamimidoyl-phenyl)-2-oxo-pyrrolidin-3-yl]-ureido}-propionic acid ethyl ester::3-{3-[1-(4-Carbamimidoyl-phenyl)-2-oxo-pyrrolidin-3-yl]-ureido}-propionic acid ethyl ester (SC-57099B (Orbofiban))::CHEMBL64706::SC-57099B

SMILES: CCOC(=O)CCNC(=O)N[C@H]1CCN(C1=O)c1ccc(cc1)C(N)=N

InChI Key: InChIKey=VJDOPFARMOLELX-ZDUSSCGKSA-N

Data: 7 IC50

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 7 hits for monomerid = 50092109   

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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50092109 (3-{(S)-3-[1-(4-Carbamimidoyl-phenyl)-2-oxo-pyrroli...) Show SMILES CCOC(=O)CCNC(=O)N[C@H]1CCN(C1=O)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C17H23N5O4/c1-2-26-14(23)7-9-20-17(25)21-13-8-10-22(16(13)24)12-5-3-11(4-6-12)15(18)19/h3-6,13H,2,7-10H2,1H3,(H3,18,19)(H2,20,21,25)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of platelet aggregation induced by 20 microM adenosine 5-diphosphate (ADP) in citrated human platelet rich plasma (h-PRP)				J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50092109 (3-{(S)-3-[1-(4-Carbamimidoyl-phenyl)-2-oxo-pyrroli...) Show SMILES CCOC(=O)CCNC(=O)N[C@H]1CCN(C1=O)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C17H23N5O4/c1-2-26-14(23)7-9-20-17(25)21-13-8-10-22(16(13)24)12-5-3-11(4-6-12)15(18)19/h3-6,13H,2,7-10H2,1H3,(H3,18,19)(H2,20,21,25)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.38	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Tested for inhibition of the binding of fibrinogen to purified human GPIIb-IIIa in a 96-well format (ELISA assay)				J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50092109 (3-{(S)-3-[1-(4-Carbamimidoyl-phenyl)-2-oxo-pyrroli...) Show SMILES CCOC(=O)CCNC(=O)N[C@H]1CCN(C1=O)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C17H23N5O4/c1-2-26-14(23)7-9-20-17(25)21-13-8-10-22(16(13)24)12-5-3-11(4-6-12)15(18)19/h3-6,13H,2,7-10H2,1H3,(H3,18,19)(H2,20,21,25)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human platelet (h-PRP) aggregation induced by 20 microM ADP with PPACK				J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50092109 (3-{(S)-3-[1-(4-Carbamimidoyl-phenyl)-2-oxo-pyrroli...) Show SMILES CCOC(=O)CCNC(=O)N[C@H]1CCN(C1=O)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C17H23N5O4/c1-2-26-14(23)7-9-20-17(25)21-13-8-10-22(16(13)24)12-5-3-11(4-6-12)15(18)19/h3-6,13H,2,7-10H2,1H3,(H3,18,19)(H2,20,21,25)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of collagen-induced platelet aggregation				J Med Chem 43: 3453-73 (2000) BindingDB Entry DOI: 10.7270/Q2ZS2X79
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50092109 (3-{(S)-3-[1-(4-Carbamimidoyl-phenyl)-2-oxo-pyrroli...) Show SMILES CCOC(=O)CCNC(=O)N[C@H]1CCN(C1=O)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C17H23N5O4/c1-2-26-14(23)7-9-20-17(25)21-13-8-10-22(16(13)24)12-5-3-11(4-6-12)15(18)19/h3-6,13H,2,7-10H2,1H3,(H3,18,19)(H2,20,21,25)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of citrated human (h-PRP) platelet aggregation induced by 5 uM TRAP6				J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50092109 (3-{(S)-3-[1-(4-Carbamimidoyl-phenyl)-2-oxo-pyrroli...) Show SMILES CCOC(=O)CCNC(=O)N[C@H]1CCN(C1=O)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C17H23N5O4/c1-2-26-14(23)7-9-20-17(25)21-13-8-10-22(16(13)24)12-5-3-11(4-6-12)15(18)19/h3-6,13H,2,7-10H2,1H3,(H3,18,19)(H2,20,21,25)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human gel filtered platelet aggregation induced by ADP				J Med Chem 43: 3453-73 (2000) BindingDB Entry DOI: 10.7270/Q2ZS2X79
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50092109 (3-{(S)-3-[1-(4-Carbamimidoyl-phenyl)-2-oxo-pyrroli...) Show SMILES CCOC(=O)CCNC(=O)N[C@H]1CCN(C1=O)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C17H23N5O4/c1-2-26-14(23)7-9-20-17(25)21-13-8-10-22(16(13)24)12-5-3-11(4-6-12)15(18)19/h3-6,13H,2,7-10H2,1H3,(H3,18,19)(H2,20,21,25)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	362	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human platelet (h-PRP) aggregation induced by 5 microM TRAP6 with PPACK				J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H
					More data for this Ligand-Target Pair