BDBM50190518 1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9-triazaspiro-[5.5]undeca-2,5-dione hydrochloride::CHEMBL536288::rac-1-Butyl-3-isobutyl-9-(6-phenylhexyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride

SMILES: CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1

InChI Key: InChIKey=FDWPPSXZXOZKJQ-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50190518   

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 5 (Homo sapiens (Human))	BDBM50190518 (1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9...) Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 Show InChI InChI=1S/C28H45N3O2/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of radio-isotope labeled MIP1-alpha binding to human recombinant CCR5				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190518 (1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9...) Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 Show InChI InChI=1S/C28H45N3O2/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CCR5 expressed in CHO cells assessed as inhibition of human MIP-1-alpha-stimulated calcium mobilization				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM50190518 (1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9...) Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 Show InChI InChI=1S/C28H45N3O2/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of radio-isotope labeled SDF1-alpha binding to human recombinant CXCR4				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50190518 (1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9...) Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 Show InChI InChI=1S/C28H45N3O2/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilization				Bioorg Med Chem 18: 5208-23 (2010) Article DOI: 10.1016/j.bmc.2010.05.057 BindingDB Entry DOI: 10.7270/Q25H7H7B
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50190518 (1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9...) Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 Show InChI InChI=1S/C28H45N3O2/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CCR2 expressed in CHO cells assessed as inhibition of human MCP1-stimulated calcium mobilization				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50190518 (1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9...) Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 Show InChI InChI=1S/C28H45N3O2/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CCR4 expressed in CHO cells assessed as inhibition of human MCD-stimulated calcium mobilization				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50190518 (1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9...) Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 Show InChI InChI=1S/C28H45N3O2/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of radio-isotope labeled MCP1 binding to human recombinant CCR2				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM50190518 (1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9...) Show SMILES CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 Show InChI InChI=1S/C28H45N3O2/c1-4-5-19-31-26(32)25(22-23(2)3)29-27(33)28(31)16-20-30(21-17-28)18-12-7-6-9-13-24-14-10-8-11-15-24/h8,10-11,14-15,23,25H,4-7,9,12-13,16-22H2,1-3H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity against human recombinant CXCR4 expressed in CHO cells assessed as inhibition of human SDF1-alpha-stimulated calcium mobilization				J Med Chem 49: 4140-52 (2006) Article DOI: 10.1021/jm060051s BindingDB Entry DOI: 10.7270/Q2ZG6T1S
					More data for this Ligand-Target Pair