null

SMILES: C[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1

InChI Key: InChIKey=MCGBRPPVNAYOKQ-YOMUGFJLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50056502   

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
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50056502 (CHEMBL3334822) Show SMILES C[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C22H33ClN2O4/c1-14(2)19(24-18(27)12-15(3)26)20(28)25-11-10-22(29,21(4,5)13-25)16-6-8-17(23)9-7-16/h6-9,14-15,19,26,29H,10-13H2,1-5H3,(H,24,27)/t15-,19-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a
Bristol Myers Squibb Company Curated by ChEMBL					Assay Description Transactivation of human full-length PXR transfected in human HepG2 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 57: 7550-64 (2014) Article DOI: 10.1021/jm5003167 BindingDB Entry DOI: 10.7270/Q2TB18JC
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50056502 (CHEMBL3334822) Show SMILES C[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C22H33ClN2O4/c1-14(2)19(24-18(27)12-15(3)26)20(28)25-11-10-22(29,21(4,5)13-25)16-6-8-17(23)9-7-16/h6-9,14-15,19,26,29H,10-13H2,1-5H3,(H,24,27)/t15-,19-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells				J Med Chem 57: 7550-64 (2014) Article DOI: 10.1021/jm5003167 BindingDB Entry DOI: 10.7270/Q2TB18JC
					More data for this Ligand-Target Pair