BDBM50394135 CHEMBL2158837

SMILES: OC(=O)[C@H](Cc1ccccc1Cl)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1

InChI Key: InChIKey=IUIGATKKQCOBAF-VWLOTQADSA-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 = 50394135   

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))	BDBM50394135 (CHEMBL2158837) Show SMILES OC(=O)[C@H](Cc1ccccc1Cl)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 |r| Show InChI InChI=1S/C26H31Cl3N2O3/c27-22-4-2-1-3-19(22)15-25(26(32)33)31-13-7-18(8-14-31)17-30-11-9-20(10-12-30)34-21-5-6-23(28)24(29)16-21/h1-6,16,18,20,25H,7-15,17H2,(H,32,33)/t25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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))	BDBM50394135 (CHEMBL2158837) Show SMILES OC(=O)[C@H](Cc1ccccc1Cl)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 |r| Show InChI InChI=1S/C26H31Cl3N2O3/c27-22-4-2-1-3-19(22)15-25(26(32)33)31-13-7-18(8-14-31)17-30-11-9-20(10-12-30)34-21-5-6-23(28)24(29)16-21/h1-6,16,18,20,25H,7-15,17H2,(H,32,33)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	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))	BDBM50394135 (CHEMBL2158837) Show SMILES OC(=O)[C@H](Cc1ccccc1Cl)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 |r| Show InChI InChI=1S/C26H31Cl3N2O3/c27-22-4-2-1-3-19(22)15-25(26(32)33)31-13-7-18(8-14-31)17-30-11-9-20(10-12-30)34-21-5-6-23(28)24(29)16-21/h1-6,16,18,20,25H,7-15,17H2,(H,32,33)/t25-/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	>1.00E+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