BDBM50091735 (S)-2-Benzenesulfonylamino-3-{[3-oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihydro-1H-isoindole-5-carbonyl]-amino}-propionic acid::CHEMBL298589

SMILES: OC(=O)[C@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)NS(=O)(=O)c1ccccc1

InChI Key: InChIKey=AJZXCRQRDSKMDW-QFIPXVFZSA-N

Data: 1 IC50  3 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 4 hits for monomerid = 50091735   

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))	BDBM50091735 ((S)-2-Benzenesulfonylamino-3-{[3-oxo-2-(2-piperidi...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C25H30N4O6S/c30-23(27-15-22(25(32)33)28-36(34,35)20-4-2-1-3-5-20)18-6-7-19-16-29(24(31)21(19)14-18)13-10-17-8-11-26-12-9-17/h1-7,14,17,22,26,28H,8-13,15-16H2,(H,27,30)(H,32,33)/t22-/m0/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	3.10	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...				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))	BDBM50091735 ((S)-2-Benzenesulfonylamino-3-{[3-oxo-2-(2-piperidi...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C25H30N4O6S/c30-23(27-15-22(25(32)33)28-36(34,35)20-4-2-1-3-5-20)18-6-7-19-16-29(24(31)21(19)14-18)13-10-17-8-11-26-12-9-17/h1-7,14,17,22,26,28H,8-13,15-16H2,(H,27,30)(H,32,33)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against alpha IIb beta3 integrin in the presence of L-736622.				Bioorg Med Chem Lett 6: 2519-2524 (1996) Article DOI: 10.1016/0960-894X(96)00473-8 BindingDB Entry DOI: 10.7270/Q2SB45Q6
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50091735 ((S)-2-Benzenesulfonylamino-3-{[3-oxo-2-(2-piperidi...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C25H30N4O6S/c30-23(27-15-22(25(32)33)28-36(34,35)20-4-2-1-3-5-20)18-6-7-19-16-29(24(31)21(19)14-18)13-10-17-8-11-26-12-9-17/h1-7,14,17,22,26,28H,8-13,15-16H2,(H,27,30)(H,32,33)/t22-/m0/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	0.25	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))	BDBM50091735 ((S)-2-Benzenesulfonylamino-3-{[3-oxo-2-(2-piperidi...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2CN(CCC3CCNCC3)C(=O)c2c1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C25H30N4O6S/c30-23(27-15-22(25(32)33)28-36(34,35)20-4-2-1-3-5-20)18-6-7-19-16-29(24(31)21(19)14-18)13-10-17-8-11-26-12-9-17/h1-7,14,17,22,26,28H,8-13,15-16H2,(H,27,30)(H,32,33)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	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