BDBM50402130 CHEMBL2207668

SMILES: O[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(cc1)C#N

InChI Key: InChIKey=KLPJSXVRXSMWBK-GOSISDBHSA-N

Data: 2 KI

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 2 hits for monomerid = 50402130   

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))	BDBM50402130 (CHEMBL2207668) Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(cc1)C#N |r| Show InChI InChI=1S/C25H26N4O4/c26-13-17-5-7-19(8-6-17)33-20-9-11-29(12-10-20)16-18(30)14-27-25(32)23-15-28-24(31)22-4-2-1-3-21(22)23/h1-8,15,18,20,30H,9-12,14,16H2,(H,27,32)(H,28,31)/t18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	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 CHOK1...				Bioorg Med Chem Lett 22: 7707-10 (2012) Article DOI: 10.1016/j.bmcl.2012.09.112 BindingDB Entry DOI: 10.7270/Q2JD4XZZ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50402130 (CHEMBL2207668) Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(cc1)C#N |r| Show InChI InChI=1S/C25H26N4O4/c26-13-17-5-7-19(8-6-17)33-20-9-11-29(12-10-20)16-18(30)14-27-25(32)23-15-28-24(31)22-4-2-1-3-21(22)23/h1-8,15,18,20,30H,9-12,14,16H2,(H,27,32)(H,28,31)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	501	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 recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr				Bioorg Med Chem Lett 22: 7707-10 (2012) Article DOI: 10.1016/j.bmcl.2012.09.112 BindingDB Entry DOI: 10.7270/Q2JD4XZZ
					More data for this Ligand-Target Pair