BDBM50091745 (S)-3-({2-[2-(2-Amino-pyridin-4-yl)-ethyl]-3-oxo-2,3-dihydro-1H-isoindole-5-carbonyl}-amino)-pent-4-ynoic acid::CHEMBL59020

SMILES: Nc1cc(CCN2Cc3ccc(cc3C2=O)C(=O)N[C@@H](CC(O)=O)C#C)ccn1

InChI Key: InChIKey=WZRAHNQCCNXRTD-MRXNPFEDSA-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 = 50091745   

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))	BDBM50091745 ((S)-3-({2-[2-(2-Amino-pyridin-4-yl)-ethyl]-3-oxo-2...) Show SMILES Nc1cc(CCN2Cc3ccc(cc3C2=O)C(=O)N[C@@H](CC(O)=O)C#C)ccn1 Show InChI InChI=1S/C21H20N4O4/c1-2-16(11-19(26)27)24-20(28)14-3-4-15-12-25(21(29)17(15)10-14)8-6-13-5-7-23-18(22)9-13/h1,3-5,7,9-10,16H,6,8,11-12H2,(H2,22,23)(H,24,28)(H,26,27)/t16-/m1/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	84	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))	BDBM50091745 ((S)-3-({2-[2-(2-Amino-pyridin-4-yl)-ethyl]-3-oxo-2...) Show SMILES Nc1cc(CCN2Cc3ccc(cc3C2=O)C(=O)N[C@@H](CC(O)=O)C#C)ccn1 Show InChI InChI=1S/C21H20N4O4/c1-2-16(11-19(26)27)24-20(28)14-3-4-15-12-25(21(29)17(15)10-14)8-6-13-5-7-23-18(22)9-13/h1,3-5,7,9-10,16H,6,8,11-12H2,(H2,22,23)(H,24,28)(H,26,27)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	27	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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50091745 ((S)-3-({2-[2-(2-Amino-pyridin-4-yl)-ethyl]-3-oxo-2...) Show SMILES Nc1cc(CCN2Cc3ccc(cc3C2=O)C(=O)N[C@@H](CC(O)=O)C#C)ccn1 Show InChI InChI=1S/C21H20N4O4/c1-2-16(11-19(26)27)24-20(28)14-3-4-15-12-25(21(29)17(15)10-14)8-6-13-5-7-23-18(22)9-13/h1,3-5,7,9-10,16H,6,8,11-12H2,(H2,22,23)(H,24,28)(H,26,27)/t16-/m1/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	2.20	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