BDBM374660 3-(1′-(1-((R)-1-(2,4-dichlorophenyl)ethyl)-3-methyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)-3′-methyl-[1,4′-bipiperidin]-3-yl)propanoic acid::US10246462, Example 41

SMILES: CCOC(=O)CCC1CCCN(C1)C1CCN(CC1C)c1cnc2c(C)nn([C@H](C)c3ccc(Cl)cc3Cl)c2n1

InChI Key: InChIKey=XJKVQFDJKPJAPQ-YHCRIBGTSA-N

Data: 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 1 hit for monomerid = 374660   

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
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM374660 (3-(1′-(1-((R)-1-(2,4-dichlorophenyl)ethyl)-3...) Show SMILES CCOC(=O)CCC1CCCN(C1)C1CCN(CC1C)c1cnc2c(C)nn([C@H](C)c3ccc(Cl)cc3Cl)c2n1 |r| Show InChI InChI=1S/C30H40Cl2N6O2/c1-5-40-28(39)11-8-22-7-6-13-36(18-22)26-12-14-37(17-19(26)2)27-16-33-29-20(3)35-38(30(29)34-27)21(4)24-10-9-23(31)15-25(24)32/h9-10,15-16,19,21-22,26H,5-8,11-14,17-18H2,1-4H3/t19?,21-,22?,26?/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>500	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description To measure binding of 125I-TARC or 125I-MDC to cells expressing CCR4 (e.g., CEM cells (e.g., ATCC HB-12624)), the 125I-TARC or 125I-MDC is diluted to...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q24F1T13
					More data for this Ligand-Target Pair