BDBM50190517 (3R)-1,9-dibenzyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]-undeca-2,5-dione hydrochloride::CHEMBL556188

SMILES: CC(C)C[C@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O

InChI Key: InChIKey=HJMJXSLZAFZRFV-HSZRJFAPSA-N

Data: 4 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 4 hits for monomerid = 50190517   

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-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM50190517 ((3R)-1,9-dibenzyl-3-(2-methylpropyl)-1,4,9-triazas...) Show SMILES CC(C)C[C@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O Show InChI InChI=1S/C26H33N3O2/c1-20(2)17-23-24(30)29(19-22-11-7-4-8-12-22)26(25(31)27-23)13-15-28(16-14-26)18-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3,(H,27,31)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+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 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
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50190517 ((3R)-1,9-dibenzyl-3-(2-methylpropyl)-1,4,9-triazas...) Show SMILES CC(C)C[C@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O Show InChI InChI=1S/C26H33N3O2/c1-20(2)17-23-24(30)29(19-22-11-7-4-8-12-22)26(25(31)27-23)13-15-28(16-14-26)18-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3,(H,27,31)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+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))	BDBM50190517 ((3R)-1,9-dibenzyl-3-(2-methylpropyl)-1,4,9-triazas...) Show SMILES CC(C)C[C@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O Show InChI InChI=1S/C26H33N3O2/c1-20(2)17-23-24(30)29(19-22-11-7-4-8-12-22)26(25(31)27-23)13-15-28(16-14-26)18-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3,(H,27,31)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+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 5 (Homo sapiens (Human))	BDBM50190517 ((3R)-1,9-dibenzyl-3-(2-methylpropyl)-1,4,9-triazas...) Show SMILES CC(C)C[C@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O Show InChI InChI=1S/C26H33N3O2/c1-20(2)17-23-24(30)29(19-22-11-7-4-8-12-22)26(25(31)27-23)13-15-28(16-14-26)18-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3,(H,27,31)/t23-/m1/s1	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	7.60E+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 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