BDBM50003874 CHEMBL108111::LAMIFIBAN::Ro-44-9883::{1-[(S)-2-(4-Carbamimidoyl-benzoylamino)-3-(4-hydroxy-phenyl)-propionyl]-piperidin-4-yloxy}-acetic acid::{1-[2-(4-Carbamimidoyl-benzoylamino)-3-(4-hydroxy-phenyl)-propionyl]-piperidin-4-yloxy}-acetic acid (Ro 44-9883 (Lamifiban))::{1-[2-(4-Carbamimidoyl-benzoylamino)-3-(4-hydroxy-phenyl)-propionyl]-piperidin-4-yloxy}-acetic acid (Ro 44-9883)

SMILES: NC(=N)c1ccc(cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC(CC1)OCC(O)=O

InChI Key: InChIKey=FPKOGTAFKSLZLD-FQEVSTJZSA-N

Data: 2 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 2 hits for monomerid = 50003874   

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))	BDBM50003874 (CHEMBL108111 | LAMIFIBAN | Ro-44-9883 | {1-[(S)-2-...) Show SMILES NC(=N)c1ccc(cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC(CC1)OCC(O)=O Show InChI InChI=1S/C24H28N4O6/c25-22(26)16-3-5-17(6-4-16)23(32)27-20(13-15-1-7-18(29)8-2-15)24(33)28-11-9-19(10-12-28)34-14-21(30)31/h1-8,19-20,29H,9-14H2,(H3,25,26)(H,27,32)(H,30,31)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of 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))	BDBM50003874 (CHEMBL108111 | LAMIFIBAN | Ro-44-9883 | {1-[(S)-2-...) Show SMILES NC(=N)c1ccc(cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC(CC1)OCC(O)=O Show InChI InChI=1S/C24H28N4O6/c25-22(26)16-3-5-17(6-4-16)23(32)27-20(13-15-1-7-18(29)8-2-15)24(33)28-11-9-19(10-12-28)34-14-21(30)31/h1-8,19-20,29H,9-14H2,(H3,25,26)(H,27,32)(H,30,31)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of FG binding to alpha IIb beta3 integrin				J Med Chem 39: 3139-47 (1996) Article DOI: 10.1021/jm9509298 BindingDB Entry DOI: 10.7270/Q2GT5M7Q
					More data for this Ligand-Target Pair