BDBM50402817 CHEMBL2208432

SMILES: O[C@H](CNC(=O)n1c2ccccc2[nH]c1=O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=CLQMFOOMFPNKNA-CQSZACIVSA-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 = 50402817   

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))	BDBM50402817 (CHEMBL2208432) Show SMILES O[C@H](CNC(=O)n1c2ccccc2[nH]c1=O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H24Cl2N4O4/c23-17-6-5-16(11-18(17)24)32-15-7-9-27(10-8-15)13-14(29)12-25-21(30)28-20-4-2-1-3-19(20)26-22(28)31/h1-6,11,14-15,29H,7-10,12-13H2,(H,25,30)(H,26,31)/t14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4- (methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK...				Bioorg Med Chem Lett 22: 7702-6 (2012) Article DOI: 10.1016/j.bmcl.2012.09.113 BindingDB Entry DOI: 10.7270/Q2CJ8FNG
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50402817 (CHEMBL2208432) Show SMILES O[C@H](CNC(=O)n1c2ccccc2[nH]c1=O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H24Cl2N4O4/c23-17-6-5-16(11-18(17)24)32-15-7-9-27(10-8-15)13-14(29)12-25-21(30)28-20-4-2-1-3-19(20)26-22(28)31/h1-6,11,14-15,29H,7-10,12-13H2,(H,25,30)(H,26,31)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 Displacement of [3H]-pyrilamine from human histamine H1 receptor expressed in recombinant CHOK1 cells after 1 hr				Bioorg Med Chem Lett 22: 7702-6 (2012) Article DOI: 10.1016/j.bmcl.2012.09.113 BindingDB Entry DOI: 10.7270/Q2CJ8FNG
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50402817 (CHEMBL2208432) Show SMILES O[C@H](CNC(=O)n1c2ccccc2[nH]c1=O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H24Cl2N4O4/c23-17-6-5-16(11-18(17)24)32-15-7-9-27(10-8-15)13-14(29)12-25-21(30)28-20-4-2-1-3-19(20)26-22(28)31/h1-6,11,14-15,29H,7-10,12-13H2,(H,25,30)(H,26,31)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG in HEK cells by ion flux electrophysiology assay				Bioorg Med Chem Lett 22: 7702-6 (2012) Article DOI: 10.1016/j.bmcl.2012.09.113 BindingDB Entry DOI: 10.7270/Q2CJ8FNG
					More data for this Ligand-Target Pair