BDBM50190512 (3R)-3-(2-methylpropyl)-9-(6-phenylhexyl)-1-propyl-1,4,9-triazaspiro[5.5]undeca-2,5-dione hydrochloride::CHEMBL535616

SMILES: CCCN1C(=O)[C@@H](CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1

InChI Key: InChIKey=FVSCJQKRVWEZKP-XMMPIXPASA-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 = 50190512   

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))	BDBM50190512 ((3R)-3-(2-methylpropyl)-9-(6-phenylhexyl)-1-propyl...) Show SMILES CCCN1C(=O)[C@@H](CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 Show InChI InChI=1S/C27H43N3O2/c1-4-17-30-25(31)24(21-22(2)3)28-26(32)27(30)15-19-29(20-16-27)18-11-6-5-8-12-23-13-9-7-10-14-23/h7,9-10,13-14,22,24H,4-6,8,11-12,15-21H2,1-3H3,(H,28,32)/t24-/m1/s1	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 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))	BDBM50190512 ((3R)-3-(2-methylpropyl)-9-(6-phenylhexyl)-1-propyl...) Show SMILES CCCN1C(=O)[C@@H](CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 Show InChI InChI=1S/C27H43N3O2/c1-4-17-30-25(31)24(21-22(2)3)28-26(32)27(30)15-19-29(20-16-27)18-11-6-5-8-12-23-13-9-7-10-14-23/h7,9-10,13-14,22,24H,4-6,8,11-12,15-21H2,1-3H3,(H,28,32)/t24-/m1/s1	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))	BDBM50190512 ((3R)-3-(2-methylpropyl)-9-(6-phenylhexyl)-1-propyl...) Show SMILES CCCN1C(=O)[C@@H](CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 Show InChI InChI=1S/C27H43N3O2/c1-4-17-30-25(31)24(21-22(2)3)28-26(32)27(30)15-19-29(20-16-27)18-11-6-5-8-12-23-13-9-7-10-14-23/h7,9-10,13-14,22,24H,4-6,8,11-12,15-21H2,1-3H3,(H,28,32)/t24-/m1/s1	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 5 (Homo sapiens (Human))	BDBM50190512 ((3R)-3-(2-methylpropyl)-9-(6-phenylhexyl)-1-propyl...) Show SMILES CCCN1C(=O)[C@@H](CC(C)C)NC(=O)C11CCN(CCCCCCc2ccccc2)CC1 Show InChI InChI=1S/C27H43N3O2/c1-4-17-30-25(31)24(21-22(2)3)28-26(32)27(30)15-19-29(20-16-27)18-11-6-5-8-12-23-13-9-7-10-14-23/h7,9-10,13-14,22,24H,4-6,8,11-12,15-21H2,1-3H3,(H,28,32)/t24-/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	3.00E+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