BDBM50302671 (S)-4-(6-(3-morpholinopropoxy)-2-phenylpyrimidine-4-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid::CHEMBL569884

SMILES: CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCCCN2CCOCC2)nc(n1)-c1ccccc1

InChI Key: InChIKey=OTPVYTZQPGECTK-SANMLTNESA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50302671   

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
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50302671 ((S)-4-(6-(3-morpholinopropoxy)-2-phenylpyrimidine-...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCCCN2CCOCC2)nc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C33H46N6O8/c1-2-3-7-20-47-33(44)39-16-14-38(15-17-39)32(43)26(11-12-29(40)41)35-31(42)27-24-28(36-30(34-27)25-9-5-4-6-10-25)46-21-8-13-37-18-22-45-23-19-37/h4-6,9-10,24,26H,2-3,7-8,11-23H2,1H3,(H,35,42)(H,40,41)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay				Bioorg Med Chem Lett 19: 6148-56 (2009) Article DOI: 10.1016/j.bmcl.2009.09.017 BindingDB Entry DOI: 10.7270/Q2B27VCB
					More data for this Ligand-Target Pair
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50302671 ((S)-4-(6-(3-morpholinopropoxy)-2-phenylpyrimidine-...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCCCN2CCOCC2)nc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C33H46N6O8/c1-2-3-7-20-47-33(44)39-16-14-38(15-17-39)32(43)26(11-12-29(40)41)35-31(42)27-24-28(36-30(34-27)25-9-5-4-6-10-25)46-21-8-13-37-18-22-45-23-19-37/h4-6,9-10,24,26H,2-3,7-8,11-23H2,1H3,(H,35,42)(H,40,41)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation by light transmission ...				Bioorg Med Chem Lett 19: 6148-56 (2009) Article DOI: 10.1016/j.bmcl.2009.09.017 BindingDB Entry DOI: 10.7270/Q2B27VCB
					More data for this Ligand-Target Pair