BDBM228627 US9345793, 8::US9744252, Example 8

SMILES: OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(c1)-c1ccccc1OCCF

InChI Key: InChIKey=CRBNIXMHJDLKNC-GJZUVCINSA-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 = 228627   

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))	BDBM228627 (US9345793, 8 | US9744252, Example 8) Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(c1)-c1ccccc1OCCF |r| Show InChI InChI=1S/C30H39FN4O5/c31-11-15-40-27-6-2-1-5-25(27)23-16-24(19-33-18-23)26(17-29(37)38)34-30(39)22-4-3-14-35(20-22)28(36)8-7-21-9-12-32-13-10-21/h1-2,5-6,16,18-19,21-22,26,32H,3-4,7-15,17,20H2,(H,34,39)(H,37,38)/t22-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	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))	BDBM228627 (US9345793, 8 | US9744252, Example 8) Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(c1)-c1ccccc1OCCF |r| Show InChI InChI=1S/C30H39FN4O5/c31-11-15-40-27-6-2-1-5-25(27)23-16-24(19-33-18-23)26(17-29(37)38)34-30(39)22-4-3-14-35(20-22)28(36)8-7-21-9-12-32-13-10-21/h1-2,5-6,16,18-19,21-22,26,32H,3-4,7-15,17,20H2,(H,34,39)(H,37,38)/t22-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	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