BDBM50054538 (S)-3-[2-(1-Oxo-7-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)-acetylamino]-pent-4-ynoic acid::3-[2-(1-Oxo-7-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-2-yl)-acetylamino]-pent-4-ynoic acid(L-767679)::CHEMBL57886::L-767679

SMILES: OC(=O)C[C@H](NC(=O)CN1CCc2ccc(cc2C1=O)N1CCNCC1)C#C

InChI Key: InChIKey=QTVKUFZTCJLGEJ-OAHLLOKOSA-N

Data: 2 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 4 hits for monomerid = 50054538   

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))	BDBM50054538 ((S)-3-[2-(1-Oxo-7-piperazin-1-yl-3,4-dihydro-1H-is...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CCc2ccc(cc2C1=O)N1CCNCC1)C#C Show InChI InChI=1S/C20H24N4O4/c1-2-15(11-19(26)27)22-18(25)13-24-8-5-14-3-4-16(12-17(14)20(24)28)23-9-6-21-7-10-23/h1,3-4,12,15,21H,5-11,13H2,(H,22,25)(H,26,27)/t15-/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	12	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of gel filtered platelet aggregation induced by ADP.				J Med Chem 43: 3453-73 (2000) BindingDB Entry DOI: 10.7270/Q2ZS2X79
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50054538 ((S)-3-[2-(1-Oxo-7-piperazin-1-yl-3,4-dihydro-1H-is...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CCc2ccc(cc2C1=O)N1CCNCC1)C#C Show InChI InChI=1S/C20H24N4O4/c1-2-15(11-19(26)27)22-18(25)13-24-8-5-14-3-4-16(12-17(14)20(24)28)23-9-6-21-7-10-23/h1,3-4,12,15,21H,5-11,13H2,(H,22,25)(H,26,27)/t15-/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	15	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))	BDBM50054538 ((S)-3-[2-(1-Oxo-7-piperazin-1-yl-3,4-dihydro-1H-is...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CCc2ccc(cc2C1=O)N1CCNCC1)C#C Show InChI InChI=1S/C20H24N4O4/c1-2-15(11-19(26)27)22-18(25)13-24-8-5-14-3-4-16(12-17(14)20(24)28)23-9-6-21-7-10-23/h1,3-4,12,15,21H,5-11,13H2,(H,22,25)(H,26,27)/t15-/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	0.560	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))	BDBM50054538 ((S)-3-[2-(1-Oxo-7-piperazin-1-yl-3,4-dihydro-1H-is...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CCc2ccc(cc2C1=O)N1CCNCC1)C#C Show InChI InChI=1S/C20H24N4O4/c1-2-15(11-19(26)27)22-18(25)13-24-8-5-14-3-4-16(12-17(14)20(24)28)23-9-6-21-7-10-23/h1,3-4,12,15,21H,5-11,13H2,(H,22,25)(H,26,27)/t15-/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	50	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