BDBM50394149 CHEMBL2158823

SMILES: OC(=O)c1cccc(c1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1

InChI Key: InChIKey=SUHCNXHLKUQVER-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 = 50394149   

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
Histamine H1 receptor (Homo sapiens (Human))	BDBM50394149 (CHEMBL2158823) Show SMILES OC(=O)c1cccc(c1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C24H28Cl2N2O3/c25-22-5-4-21(15-23(22)26)31-20-8-10-27(11-9-20)16-17-6-12-28(13-7-17)19-3-1-2-18(14-19)24(29)30/h1-5,14-15,17,20H,6-13,16H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01	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
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50394149 (CHEMBL2158823) Show SMILES OC(=O)c1cccc(c1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C24H28Cl2N2O3/c25-22-5-4-21(15-23(22)26)31-20-8-10-27(11-9-20)16-17-6-12-28(13-7-17)19-3-1-2-18(14-19)24(29)30/h1-5,14-15,17,20H,6-13,16H2,(H,29,30)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50394149 (CHEMBL2158823) Show SMILES OC(=O)c1cccc(c1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C24H28Cl2N2O3/c25-22-5-4-21(15-23(22)26)31-20-8-10-27(11-9-20)16-17-6-12-28(13-7-17)19-3-1-2-18(14-19)24(29)30/h1-5,14-15,17,20H,6-13,16H2,(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	3.16E+4	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