BDBM50091731 (S)-3-{2-[(R)-2-Oxo-1-(2-piperidin-4-yl-ethyl)-piperidin-3-yl]-acetylamino}-3-pyridin-3-yl-propionic acid::CHEMBL293588

SMILES: OC(=O)C[C@H](NC(=O)C[C@H]1CCCN(CCC2CCNCC2)C1=O)c1cccnc1

InChI Key: InChIKey=JPXXAQAAXBCQPT-MJGOQNOKSA-N

Data: 1 IC50  2 Kd

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 3 hits for monomerid = 50091731   

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))	BDBM50091731 ((S)-3-{2-[(R)-2-Oxo-1-(2-piperidin-4-yl-ethyl)-pip...) Show SMILES OC(=O)C[C@H](NC(=O)C[C@H]1CCCN(CCC2CCNCC2)C1=O)c1cccnc1 Show InChI InChI=1S/C22H32N4O4/c27-20(25-19(14-21(28)29)18-3-1-8-24-15-18)13-17-4-2-11-26(22(17)30)12-7-16-5-9-23-10-6-16/h1,3,8,15-17,19,23H,2,4-7,9-14H2,(H,25,27)(H,28,29)/t17-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.				Bioorg Med Chem Lett 10: 1943-8 (2001) BindingDB Entry DOI: 10.7270/Q2GB2380
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50091731 ((S)-3-{2-[(R)-2-Oxo-1-(2-piperidin-4-yl-ethyl)-pip...) Show SMILES OC(=O)C[C@H](NC(=O)C[C@H]1CCCN(CCC2CCNCC2)C1=O)c1cccnc1 Show InChI InChI=1S/C22H32N4O4/c27-20(25-19(14-21(28)29)18-3-1-8-24-15-18)13-17-4-2-11-26(22(17)30)12-7-16-5-9-23-10-6-16/h1,3,8,15-17,19,23H,2,4-7,9-14H2,(H,25,27)(H,28,29)/t17-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.				Bioorg Med Chem Lett 10: 1943-8 (2001) BindingDB Entry DOI: 10.7270/Q2GB2380
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50091731 ((S)-3-{2-[(R)-2-Oxo-1-(2-piperidin-4-yl-ethyl)-pip...) Show SMILES OC(=O)C[C@H](NC(=O)C[C@H]1CCCN(CCC2CCNCC2)C1=O)c1cccnc1 Show InChI InChI=1S/C22H32N4O4/c27-20(25-19(14-21(28)29)18-3-1-8-24-15-18)13-17-4-2-11-26(22(17)30)12-7-16-5-9-23-10-6-16/h1,3,8,15-17,19,23H,2,4-7,9-14H2,(H,25,27)(H,28,29)/t17-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.				Bioorg Med Chem Lett 10: 1943-8 (2001) BindingDB Entry DOI: 10.7270/Q2GB2380
					More data for this Ligand-Target Pair