BDBM50324649 CHEMBL1215889::N-(Adamantan-1-yl)-4-oxo-1-pentyl-6-(2-phenylethynyl)-1,4-dihydroquinoline-3-carboxamide

SMILES: CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C#Cc1ccccc1

InChI Key: InChIKey=VOFUENNZZZQQMS-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50324649   

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
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50324649 (CHEMBL1215889 | N-(Adamantan-1-yl)-4-oxo-1-pentyl-...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C#Cc1ccccc1 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,14:15:19:13.12.18,THB:14:13:19:15.20.16| Show InChI InChI=1S/C33H36N2O2/c1-2-3-7-14-35-22-29(32(37)34-33-19-25-15-26(20-33)17-27(16-25)21-33)31(36)28-18-24(12-13-30(28)35)11-10-23-8-5-4-6-9-23/h4-6,8-9,12-13,18,22,25-27H,2-3,7,14-17,19-21H2,1H3,(H,34,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	343	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells				J Med Chem 53: 5915-28 (2010) Article DOI: 10.1021/jm100123x BindingDB Entry DOI: 10.7270/Q2PC33BG
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50324649 (CHEMBL1215889 | N-(Adamantan-1-yl)-4-oxo-1-pentyl-...) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C#Cc1ccccc1 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,14:15:19:13.12.18,THB:14:13:19:15.20.16| Show InChI InChI=1S/C33H36N2O2/c1-2-3-7-14-35-22-29(32(37)34-33-19-25-15-26(20-33)17-27(16-25)21-33)31(36)28-18-24(12-13-30(28)35)11-10-23-8-5-4-6-9-23/h4-6,8-9,12-13,18,22,25-27H,2-3,7,14-17,19-21H2,1H3,(H,34,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells				J Med Chem 53: 5915-28 (2010) Article DOI: 10.1021/jm100123x BindingDB Entry DOI: 10.7270/Q2PC33BG
					More data for this Ligand-Target Pair