BDBM50306944 (S)-4-(4-((S)-3-(diethylcarbamoyl)pyrrolidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid::CHEMBL601483

SMILES: CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CC[C@@H](C1)C(=O)N(CC)CC

InChI Key: InChIKey=HGLFTLWQACJOLO-YTMVLYRLSA-N

Data: 1 KI

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 1 hit for monomerid = 50306944   

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))	BDBM50306944 ((S)-4-(4-((S)-3-(diethylcarbamoyl)pyrrolidin-1-yl)...) Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CC[C@@H](C1)C(=O)N(CC)CC |r| Show InChI InChI=1S/C36H50N6O7/c1-4-7-11-22-49-36(48)41-20-18-40(19-21-41)35(47)29(14-15-32(43)44)38-33(45)31-24-28(23-30(37-31)26-12-9-8-10-13-26)42-17-16-27(25-42)34(46)39(5-2)6-3/h8-10,12-13,23-24,27,29H,4-7,11,14-22,25H2,1-3H3,(H,38,45)(H,43,44)/t27-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of human P2Y12 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1388-94 (2010) Article DOI: 10.1016/j.bmcl.2009.12.110 BindingDB Entry DOI: 10.7270/Q2ZP467B
					More data for this Ligand-Target Pair