BDBM50411443 CHEMBL235357

SMILES: Clc1ccc(O[C@@H]2CCCNC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=VXFCQJMLQVJIKZ-YLSHDAJPSA-N

Data: 1 IC50  1 Kd

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 = 50411443   

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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50411443 (CHEMBL235357) Show SMILES Clc1ccc(O[C@@H]2CCCNC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24| Show InChI InChI=1S/C23H31ClN2O2/c24-21-4-3-18(28-19-2-1-5-25-13-19)9-20(21)22(27)26-14-23-10-15-6-16(11-23)8-17(7-15)12-23/h3-4,9,15-17,19,25H,1-2,5-8,10-14H2,(H,26,27)/t15?,16?,17?,19-,23?/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.31	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo...				J Med Chem 50: 5882-5 (2007) Article DOI: 10.1021/jm700949w BindingDB Entry DOI: 10.7270/Q2HQ3ZM9
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM50411443 (CHEMBL235357) Show SMILES Clc1ccc(O[C@@H]2CCCNC2)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24| Show InChI InChI=1S/C23H31ClN2O2/c24-21-4-3-18(28-19-2-1-5-25-13-19)9-20(21)22(27)26-14-23-10-15-6-16(11-23)8-17(7-15)12-23/h3-4,9,15-17,19,25H,1-2,5-8,10-14H2,(H,26,27)/t15?,16?,17?,19-,23?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Antagonist activity at rat P2X7 receptor transfected in HEK cells assessed as inhibition of benzylATP-induced changes in plasma membrane pore formati...				J Med Chem 50: 5882-5 (2007) Article DOI: 10.1021/jm700949w BindingDB Entry DOI: 10.7270/Q2HQ3ZM9
					More data for this Ligand-Target Pair