BDBM50159708 CHEMBL3786535

SMILES: OC(=O)C(F)(F)F.N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=FIZFCOARKPHJMU-AIHXPYQNSA-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 = 50159708   

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))	BDBM50159708 (CHEMBL3786535) Show SMILES OC(=O)C(F)(F)F.N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C40H44N4O4.C2HF3O2/c41-35(39(47)43-27-34(29-14-4-1-5-15-29)30-16-6-2-7-17-30)22-12-13-25-42-40(48)36-26-32-20-10-11-21-33(32)28-44(36)38(46)24-23-37(45)31-18-8-3-9-19-31;3-2(4,5)1(6)7/h1-11,14-21,34-36H,12-13,22-28,41H2,(H,42,48)(H,43,47);(H,6,7)/t35-,36-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	309	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
chemokine (C-X-C motif) receptor 3 (Homo sapiens (Human))	BDBM50159708 (CHEMBL3786535) Show SMILES OC(=O)C(F)(F)F.N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C40H44N4O4.C2HF3O2/c41-35(39(47)43-27-34(29-14-4-1-5-15-29)30-16-6-2-7-17-30)22-12-13-25-42-40(48)36-26-32-20-10-11-21-33(32)28-44(36)38(46)24-23-37(45)31-18-8-3-9-19-31;3-2(4,5)1(6)7/h1-11,14-21,34-36H,12-13,22-28,41H2,(H,42,48)(H,43,47);(H,6,7)/t35-,36-;/m0./s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	158	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