BDBM50402120 CHEMBL2207281

SMILES: OCCNS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=YEGSREZTMOWGTG-MRXNPFEDSA-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 = 50402120   

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))	BDBM50402120 (CHEMBL2207281) Show SMILES OCCNS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C26H30Cl2N4O7S/c27-23-4-1-18(11-24(23)28)39-17-5-8-32(9-6-17)15-16(34)13-29-26(36)22-14-30-25(35)21-12-19(2-3-20(21)22)40(37,38)31-7-10-33/h1-4,11-12,14,16-17,31,33-34H,5-10,13,15H2,(H,29,36)(H,30,35)/t16-/m1/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 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))	BDBM50402120 (CHEMBL2207281) Show SMILES OCCNS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C26H30Cl2N4O7S/c27-23-4-1-18(11-24(23)28)39-17-5-8-32(9-6-17)15-16(34)13-29-26(36)22-14-30-25(35)21-12-19(2-3-20(21)22)40(37,38)31-7-10-33/h1-4,11-12,14,16-17,31,33-34H,5-10,13,15H2,(H,29,36)(H,30,35)/t16-/m1/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 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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50402120 (CHEMBL2207281) Show SMILES OCCNS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C26H30Cl2N4O7S/c27-23-4-1-18(11-24(23)28)39-17-5-8-32(9-6-17)15-16(34)13-29-26(36)22-14-30-25(35)21-12-19(2-3-20(21)22)40(37,38)31-7-10-33/h1-4,11-12,14,16-17,31,33-34H,5-10,13,15H2,(H,29,36)(H,30,35)/t16-/m1/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	5.01E+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 3hrs				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