BDBM50394126 CHEMBL2158774

SMILES: Cc1ccc(C[C@H](N2CCC(CN3CCC(CC3)Oc3ccc(Cl)c(Cl)c3)CC2)C(O)=O)cc1

InChI Key: InChIKey=QLGIWKYNMSCERQ-SANMLTNESA-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 = 50394126   

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))	BDBM50394126 (CHEMBL2158774) Show SMILES Cc1ccc(C[C@H](N2CCC(CN3CCC(CC3)Oc3ccc(Cl)c(Cl)c3)CC2)C(O)=O)cc1 |r| Show InChI InChI=1S/C27H34Cl2N2O3/c1-19-2-4-20(5-3-19)16-26(27(32)33)31-14-8-21(9-15-31)18-30-12-10-22(11-13-30)34-23-6-7-24(28)25(29)17-23/h2-7,17,21-22,26H,8-16,18H2,1H3,(H,32,33)/t26-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.9	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))	BDBM50394126 (CHEMBL2158774) Show SMILES Cc1ccc(C[C@H](N2CCC(CN3CCC(CC3)Oc3ccc(Cl)c(Cl)c3)CC2)C(O)=O)cc1 |r| Show InChI InChI=1S/C27H34Cl2N2O3/c1-19-2-4-20(5-3-19)16-26(27(32)33)31-14-8-21(9-15-31)18-30-12-10-22(11-13-30)34-23-6-7-24(28)25(29)17-23/h2-7,17,21-22,26H,8-16,18H2,1H3,(H,32,33)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79.4	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))	BDBM50394126 (CHEMBL2158774) Show SMILES Cc1ccc(C[C@H](N2CCC(CN3CCC(CC3)Oc3ccc(Cl)c(Cl)c3)CC2)C(O)=O)cc1 |r| Show InChI InChI=1S/C27H34Cl2N2O3/c1-19-2-4-20(5-3-19)16-26(27(32)33)31-14-8-21(9-15-31)18-30-12-10-22(11-13-30)34-23-6-7-24(28)25(29)17-23/h2-7,17,21-22,26H,8-16,18H2,1H3,(H,32,33)/t26-/m0/s1	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	6.31E+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