BDBM228633 US9345793, 14::US9744252, Example 14

SMILES: OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1ccc(C#N)c(F)c1

InChI Key: InChIKey=VITFKBICHMWBSD-CTNGQTDRSA-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 = 228633   

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 (Homo sapiens (Human))	BDBM228633 (US9345793, 14 | US9744252, Example 14) Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1ccc(C#N)c(F)c1 |r| Show InChI InChI=1S/C24H31FN4O4/c25-20-12-17(4-5-18(20)14-26)21(13-23(31)32)28-24(33)19-2-1-11-29(15-19)22(30)6-3-16-7-9-27-10-8-16/h4-5,12,16,19,21,27H,1-3,6-11,13,15H2,(H,28,33)(H,31,32)/t19-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
PIRAMAL IMAGING SA US Patent					Assay Description Purified human glycoprotein IIb/IIIa (20 mM Tris-HCl, 0.1 M NaCl, 0.1% Triton X-100, 1 mM CaCl2, 0.05% NaN3, 50% Glycerol, pH 7.4) was purchased from...				US Patent US9744252 (2017) BindingDB Entry DOI: 10.7270/Q2F76FN7
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM228633 (US9345793, 14 | US9744252, Example 14) Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1ccc(C#N)c(F)c1 |r| Show InChI InChI=1S/C24H31FN4O4/c25-20-12-17(4-5-18(20)14-26)21(13-23(31)32)28-24(33)19-2-1-11-29(15-19)22(30)6-3-16-7-9-27-10-8-16/h4-5,12,16,19,21,27H,1-3,6-11,13,15H2,(H,28,33)(H,31,32)/t19-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	2
PIRAMAL IMAGING SA US Patent					Assay Description The GPIIb/IIIa receptor was immobilized 48 hours at least (100 μL per well, 48 to maximum 96 hours) on a 96-well solid plate (Immuno Plate MaxiSor...				US Patent US9345793 (2016) BindingDB Entry DOI: 10.7270/Q22806GR
					More data for this Ligand-Target Pair