BDBM50302648 (S)-4-(6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid::CHEMBL565470

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

InChI Key: InChIKey=NDKVFAXEDFVNPY-DEOSSOPVSA-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 = 50302648   

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))	BDBM50302648 ((S)-4-(6-(4-methylpiperazin-1-yl)-2-phenylpyrimidi...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCN(C)CC1 |r| Show InChI InChI=1S/C31H43N7O6/c1-3-4-8-21-44-31(43)38-19-17-37(18-20-38)30(42)24(11-12-27(39)40)33-29(41)25-22-26(36-15-13-35(2)14-16-36)34-28(32-25)23-9-6-5-7-10-23/h5-7,9-10,22,24H,3-4,8,11-21H2,1-2H3,(H,33,41)(H,39,40)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	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))	BDBM50302648 ((S)-4-(6-(4-methylpiperazin-1-yl)-2-phenylpyrimidi...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCN(C)CC1 |r| Show InChI InChI=1S/C31H43N7O6/c1-3-4-8-21-44-31(43)38-19-17-37(18-20-38)30(42)24(11-12-27(39)40)33-29(41)25-22-26(36-15-13-35(2)14-16-36)34-28(32-25)23-9-6-5-7-10-23/h5-7,9-10,22,24H,3-4,8,11-21H2,1-2H3,(H,33,41)(H,39,40)/t24-/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	1.40E+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