BDBM50159705 CHEMBL3786864

SMILES: CC(=O)CCC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=UJRRHQYMLQNIBY-PXLJZGITSA-N

Data: 2 EC50

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 = 50159705   

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
chemokine (C-X-C motif) receptor 3 (Homo sapiens (Human))	BDBM50159705 (CHEMBL3786864) Show SMILES CC(=O)CCC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C40H50N4O6/c1-28(45)22-23-36(46)44-27-32-20-12-11-19-31(32)25-35(44)38(48)41-24-14-13-21-34(43-39(49)50-40(2,3)4)37(47)42-26-33(29-15-7-5-8-16-29)30-17-9-6-10-18-30/h5-12,15-20,33-35H,13-14,21-27H2,1-4H3,(H,41,48)(H,42,47)(H,43,49)/t34-,35-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	166	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Positive allosteric modulation of ProLink1-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...				J Med Chem 59: 2222-43 (2016) BindingDB Entry DOI: 10.7270/Q2T72KBR
					More data for this Ligand-Target Pair
chemokine (C-X-C motif) receptor 3 (Homo sapiens (Human))	BDBM50159705 (CHEMBL3786864) Show SMILES CC(=O)CCC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C40H50N4O6/c1-28(45)22-23-36(46)44-27-32-20-12-11-19-31(32)25-35(44)38(48)41-24-14-13-21-34(43-39(49)50-40(2,3)4)37(47)42-26-33(29-15-7-5-8-16-29)30-17-9-6-10-18-30/h5-12,15-20,33-35H,13-14,21-27H2,1-4H3,(H,41,48)(H,42,47)(H,43,49)/t34-,35-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	229	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Positive allosteric modulation of ProLink2-tagged wild type CXCR3 (unknown origin) expressed in HEK293T cells assessed as beta-arrestin-2 recruitment...				J Med Chem 59: 2222-43 (2016) BindingDB Entry DOI: 10.7270/Q2T72KBR
					More data for this Ligand-Target Pair