BDBM50062786 ((S)-1-{2-[(4-Guanidinomethyl-cyclohexanecarbonyl)-amino]-acetyl}-3-oxo-4-phenethyl-piperazin-2-yl)-acetic acid::CHEMBL147553

SMILES: NC(=N)NCC1CCC(CC1)C(=O)NCC(=O)N1CCN(CCc2ccccc2)C(=O)[C@@H]1CC(O)=O

InChI Key: InChIKey=MFSQWKPTFRSFGF-MHJFOBGBSA-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 = 50062786   

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))	BDBM50062786 (((S)-1-{2-[(4-Guanidinomethyl-cyclohexanecarbonyl)...) Show SMILES NC(=N)NCC1CCC(CC1)C(=O)NCC(=O)N1CCN(CCc2ccccc2)C(=O)[C@@H]1CC(O)=O |wD:31.34,(1.61,-10.39,;2.92,-11.2,;4.28,-10.46,;2.88,-12.74,;4.21,-13.51,;5.54,-12.74,;6.87,-13.52,;8.22,-12.75,;8.2,-11.21,;6.87,-10.44,;5.55,-11.2,;9.54,-10.44,;9.53,-8.9,;10.87,-11.21,;12.21,-10.44,;13.54,-11.21,;13.54,-12.75,;14.87,-10.44,;14.87,-8.9,;16.2,-8.12,;17.53,-8.9,;18.86,-8.13,;20.19,-8.9,;21.54,-8.13,;21.52,-6.6,;22.85,-5.83,;24.2,-6.61,;24.2,-8.15,;22.85,-8.91,;17.53,-10.44,;18.86,-11.21,;16.2,-11.2,;16.2,-12.74,;17.53,-13.51,;17.53,-15.05,;18.86,-12.74,)| Show InChI InChI=1S/C25H36N6O5/c26-25(27)29-15-18-6-8-19(9-7-18)23(35)28-16-21(32)31-13-12-30(24(36)20(31)14-22(33)34)11-10-17-4-2-1-3-5-17/h1-5,18-20H,6-16H2,(H,28,35)(H,33,34)(H4,26,27,29)/t18?,19?,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Concentration required to inhibit adenosine diphosphate (ADP) induced aggregation of guinea pig platelets by 50% in vitro				J Med Chem 41: 489-502 (1998) Article DOI: 10.1021/jm970235u BindingDB Entry DOI: 10.7270/Q2571B4W
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50062786 (((S)-1-{2-[(4-Guanidinomethyl-cyclohexanecarbonyl)...) Show SMILES NC(=N)NCC1CCC(CC1)C(=O)NCC(=O)N1CCN(CCc2ccccc2)C(=O)[C@@H]1CC(O)=O |wD:31.34,(1.61,-10.39,;2.92,-11.2,;4.28,-10.46,;2.88,-12.74,;4.21,-13.51,;5.54,-12.74,;6.87,-13.52,;8.22,-12.75,;8.2,-11.21,;6.87,-10.44,;5.55,-11.2,;9.54,-10.44,;9.53,-8.9,;10.87,-11.21,;12.21,-10.44,;13.54,-11.21,;13.54,-12.75,;14.87,-10.44,;14.87,-8.9,;16.2,-8.12,;17.53,-8.9,;18.86,-8.13,;20.19,-8.9,;21.54,-8.13,;21.52,-6.6,;22.85,-5.83,;24.2,-6.61,;24.2,-8.15,;22.85,-8.91,;17.53,-10.44,;18.86,-11.21,;16.2,-11.2,;16.2,-12.74,;17.53,-13.51,;17.53,-15.05,;18.86,-12.74,)| Show InChI InChI=1S/C25H36N6O5/c26-25(27)29-15-18-6-8-19(9-7-18)23(35)28-16-21(32)31-13-12-30(24(36)20(31)14-22(33)34)11-10-17-4-2-1-3-5-17/h1-5,18-20H,6-16H2,(H,28,35)(H,33,34)(H4,26,27,29)/t18?,19?,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells.				J Med Chem 41: 489-502 (1998) Article DOI: 10.1021/jm970235u BindingDB Entry DOI: 10.7270/Q2571B4W
					More data for this Ligand-Target Pair