BDBM50436285 CHEMBL2398743::US8633226, 466

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

InChI Key: InChIKey=RSEPHLOGMONLPT-OFNKIYASSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50436285   

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 1 (Homo sapiens (Human))	BDBM50436285 (CHEMBL2398743 | US8633226, 466) Show SMILES CC(C)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/C23H35ClN2O3/c1-15(2)13-19(27)25-20(16(3)4)21(28)26-12-11-23(29,22(5,6)14-26)17-7-9-18(24)10-8-17/h7-10,15-16,20,29H,11-14H2,1-6H3,(H,25,27)/t20-,23+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2.60	-11.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description For radioligand competition studies, a final concentration of 1x105 THP-1 monocytic leukemia cells are combined with 100 μg of LS WGA PS beads (...				US Patent US8633226 (2014) BindingDB Entry DOI: 10.7270/Q22J69HG
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50436285 (CHEMBL2398743 | US8633226, 466) Show SMILES CC(C)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/C23H35ClN2O3/c1-15(2)13-19(27)25-20(16(3)4)21(28)26-12-11-23(29,22(5,6)14-26)17-7-9-18(24)10-8-17/h7-10,15-16,20,29H,11-14H2,1-6H3,(H,25,27)/t20-,23+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to human CCR1				Bioorg Med Chem Lett 23: 3833-40 (2013) Article DOI: 10.1016/j.bmcl.2013.04.079 BindingDB Entry DOI: 10.7270/Q24X596G
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50436285 (CHEMBL2398743 | US8633226, 466) Show SMILES CC(C)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/C23H35ClN2O3/c1-15(2)13-19(27)25-20(16(3)4)21(28)26-12-11-23(29,22(5,6)14-26)17-7-9-18(24)10-8-17/h7-10,15-16,20,29H,11-14H2,1-6H3,(H,25,27)/t20-,23+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis				Bioorg Med Chem Lett 23: 3833-40 (2013) Article DOI: 10.1016/j.bmcl.2013.04.079 BindingDB Entry DOI: 10.7270/Q24X596G
					More data for this Ligand-Target Pair