BDBM50091732 (S)-3-(2-{(R)-3-[2-(2-Amino-pyridin-4-yl)-ethyl]-2-oxo-piperidin-1-yl}-acetylamino)-pent-4-ynoic acid::CHEMBL57192

SMILES: Nc1cc(CC[C@@H]2CCCN(CC(=O)N[C@@H](CC(O)=O)C#C)C2=O)ccn1

InChI Key: InChIKey=KRMFBDFPPIORKF-LSDHHAIUSA-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 = 50091732   

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))	BDBM50091732 ((S)-3-(2-{(R)-3-[2-(2-Amino-pyridin-4-yl)-ethyl]-2...) Show SMILES Nc1cc(CC[C@@H]2CCCN(CC(=O)N[C@@H](CC(O)=O)C#C)C2=O)ccn1 Show InChI InChI=1S/C19H24N4O4/c1-2-15(11-18(25)26)22-17(24)12-23-9-3-4-14(19(23)27)6-5-13-7-8-21-16(20)10-13/h1,7-8,10,14-15H,3-6,9,11-12H2,(H2,20,21)(H,22,24)(H,25,26)/t14-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	340	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))	BDBM50091732 ((S)-3-(2-{(R)-3-[2-(2-Amino-pyridin-4-yl)-ethyl]-2...) Show SMILES Nc1cc(CC[C@@H]2CCCN(CC(=O)N[C@@H](CC(O)=O)C#C)C2=O)ccn1 Show InChI InChI=1S/C19H24N4O4/c1-2-15(11-18(25)26)22-17(24)12-23-9-3-4-14(19(23)27)6-5-13-7-8-21-16(20)10-13/h1,7-8,10,14-15H,3-6,9,11-12H2,(H2,20,21)(H,22,24)(H,25,26)/t14-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.				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))	BDBM50091732 ((S)-3-(2-{(R)-3-[2-(2-Amino-pyridin-4-yl)-ethyl]-2...) Show SMILES Nc1cc(CC[C@@H]2CCCN(CC(=O)N[C@@H](CC(O)=O)C#C)C2=O)ccn1 Show InChI InChI=1S/C19H24N4O4/c1-2-15(11-18(25)26)22-17(24)12-23-9-3-4-14(19(23)27)6-5-13-7-8-21-16(20)10-13/h1,7-8,10,14-15H,3-6,9,11-12H2,(H2,20,21)(H,22,24)(H,25,26)/t14-,15+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.				Bioorg Med Chem Lett 10: 1943-8 (2001) BindingDB Entry DOI: 10.7270/Q2GB2380
					More data for this Ligand-Target Pair