BindingDB PrimarySearch

BDBM50184924 1-((1S,2R,5S)-5-(4-cyanophenyl)bicyclo[3.1.0]hexan-2-yl)-3-(4-fluoro-3-(trifluoromethyl)phenyl)-1-(3-(4-methylpiperazin-1-yl)propyl)urea::CHEMBL205285::N-[trans-5-(4-cyanophenyl)bicyclo[3.1.0]hex-2-yl]-N'-[4-fluoro-3-(trifluoromethyl)phenyl)-N-[3-(4-methyl-1-piperazinyl)propyl]-urea

SMILES: CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)C(=O)Nc2ccc(F)c(c2)C(F)(F)F)CC1

InChI Key: InChIKey=QXIJKQBZACKAMG-OROMBRFGSA-N

Data: 4 KI 6 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50184924
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Melanin-concentrating hormone receptor (Homo sapiens (Human))	BDBM50184924 (1-((1S,2R,5S)-5-(4-cyanophenyl)bicyclo[3.1.0]hexan...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Displacement of [3H]GW803430 from MCH-1 receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 20: 7020-3 (2010) Article DOI: 10.1016/j.bmcl.2010.09.037 BindingDB Entry DOI: 10.7270/Q2639PZR
AMRI Curated by ChEMBL					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor (Homo sapiens (Human))	BDBM50184924 (1-((1S,2R,5S)-5-(4-cyanophenyl)bicyclo[3.1.0]hexan...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in CHO cell				J Med Chem 49: 2294-310 (2006) Article DOI: 10.1021/jm050886n BindingDB Entry DOI: 10.7270/Q2HQ3ZGH
Schering-Plough Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor (Homo sapiens (Human))	BDBM50184924 (1-((1S,2R,5S)-5-(4-cyanophenyl)bicyclo[3.1.0]hexan...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to MCHR1				Bioorg Med Chem Lett 16: 4262-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.069 BindingDB Entry DOI: 10.7270/Q2BC3Z5G
Schering-Plough Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor (Homo sapiens (Human))	BDBM50184924 (1-((1S,2R,5S)-5-(4-cyanophenyl)bicyclo[3.1.0]hexan...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery Inc. Curated by ChEMBL					Assay Description Inhibition of 125I-MCH binding to human MCH-R1 expressed in CHO cell membranes				Bioorg Med Chem Lett 17: 1718-21 (2007) Article DOI: 10.1016/j.bmcl.2006.12.080 BindingDB Entry DOI: 10.7270/Q26H4H3Q
Pharmacopeia Drug Discovery Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50184924 (1-((1S,2R,5S)-5-(4-cyanophenyl)bicyclo[3.1.0]hexan...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of CYP2B6				Bioorg Med Chem Lett 20: 7020-3 (2010) Article DOI: 10.1016/j.bmcl.2010.09.037 BindingDB Entry DOI: 10.7270/Q2639PZR
AMRI Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50184924 (1-((1S,2R,5S)-5-(4-cyanophenyl)bicyclo[3.1.0]hexan...) Show SMILES Show InChI	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+7	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 20: 7020-3 (2010) Article DOI: 10.1016/j.bmcl.2010.09.037 BindingDB Entry DOI: 10.7270/Q2639PZR
AMRI Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50184924 (1-((1S,2R,5S)-5-(4-cyanophenyl)bicyclo[3.1.0]hexan...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 20: 7020-3 (2010) Article DOI: 10.1016/j.bmcl.2010.09.037 BindingDB Entry DOI: 10.7270/Q2639PZR
AMRI Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50184924 (1-((1S,2R,5S)-5-(4-cyanophenyl)bicyclo[3.1.0]hexan...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 20: 7020-3 (2010) Article DOI: 10.1016/j.bmcl.2010.09.037 BindingDB Entry DOI: 10.7270/Q2639PZR
AMRI Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50184924 (1-((1S,2R,5S)-5-(4-cyanophenyl)bicyclo[3.1.0]hexan...) Show SMILES Show InChI	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	52	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of hERG channel by voltage clamp assay				Bioorg Med Chem Lett 16: 4262-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.069 BindingDB Entry DOI: 10.7270/Q2BC3Z5G
Schering-Plough Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50184924 (1-((1S,2R,5S)-5-(4-cyanophenyl)bicyclo[3.1.0]hexan...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 20: 7020-3 (2010) Article DOI: 10.1016/j.bmcl.2010.09.037 BindingDB Entry DOI: 10.7270/Q2639PZR
AMRI Curated by ChEMBL					More data for this Ligand-Target Pair