BDBM50394150 CHEMBL2158822

SMILES: OC(=O)c1ccccc1N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1

InChI Key: InChIKey=UMSPPMMERAOIRT-UHFFFAOYSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50394150   

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 3 (Homo sapiens (Human))	BDBM50394150 (CHEMBL2158822) Show SMILES OC(=O)c1ccccc1N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C24H28Cl2N2O3/c25-21-6-5-19(15-22(21)26)31-18-9-11-27(12-10-18)16-17-7-13-28(14-8-17)23-4-2-1-3-20(23)24(29)30/h1-6,15,17-18H,7-14,16H2,(H,29,30)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to human CCR3 expressed in CHOK1 cells by radioligand displacement assay				Bioorg Med Chem Lett 22: 6694-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.103 BindingDB Entry DOI: 10.7270/Q2Z320SD
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50394150 (CHEMBL2158822) Show SMILES OC(=O)c1ccccc1N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C24H28Cl2N2O3/c25-21-6-5-19(15-22(21)26)31-18-9-11-27(12-10-18)16-17-7-13-28(14-8-17)23-4-2-1-3-20(23)24(29)30/h1-6,15,17-18H,7-14,16H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to histamine H1 receptor				Bioorg Med Chem Lett 22: 6694-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.103 BindingDB Entry DOI: 10.7270/Q2Z320SD
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50394150 (CHEMBL2158822) Show SMILES OC(=O)c1ccccc1N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C24H28Cl2N2O3/c25-21-6-5-19(15-22(21)26)31-18-9-11-27(12-10-18)16-17-7-13-28(14-8-17)23-4-2-1-3-20(23)24(29)30/h1-6,15,17-18H,7-14,16H2,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of 3,7-Bis[2-(4-nitro[3,5-3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane from human ERG expressed in HEK cells after 3 hrs by TopCount a...				Bioorg Med Chem Lett 22: 6694-9 (2012) Article DOI: 10.1016/j.bmcl.2012.08.103 BindingDB Entry DOI: 10.7270/Q2Z320SD
					More data for this Ligand-Target Pair