BDBM50383155 CHEMBL2031876

SMILES: C[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1

InChI Key: InChIKey=QKNQLRSRULGFBA-HXUWFJFHSA-N

Data: 10 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 11 hits for monomerid = 50383155   

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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50383155 (CHEMBL2031876) Show SMILES C[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r| Show InChI InChI=1S/C27H33N3O2/c1-20-5-4-15-30(20)26(31)22-8-6-21(7-9-22)23-10-11-25-24(19-23)12-16-29(27(25)32)18-17-28-13-2-3-14-28/h6-11,19-20H,2-5,12-18H2,1H3/t20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50383155 (CHEMBL2031876) Show SMILES C[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r| Show InChI InChI=1S/C27H33N3O2/c1-20-5-4-15-30(20)26(31)22-8-6-21(7-9-22)23-10-11-25-24(19-23)12-16-29(27(25)32)18-17-28-13-2-3-14-28/h6-11,19-20H,2-5,12-18H2,1H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to 5-HT transporter				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50383155 (CHEMBL2031876) Show SMILES C[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r| Show InChI InChI=1S/C27H33N3O2/c1-20-5-4-15-30(20)26(31)22-8-6-21(7-9-22)23-10-11-25-24(19-23)12-16-29(27(25)32)18-17-28-13-2-3-14-28/h6-11,19-20H,2-5,12-18H2,1H3/t20-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to alpha-2A receptor				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50383155 (CHEMBL2031876) Show SMILES C[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r| Show InChI InChI=1S/C27H33N3O2/c1-20-5-4-15-30(20)26(31)22-8-6-21(7-9-22)23-10-11-25-24(19-23)12-16-29(27(25)32)18-17-28-13-2-3-14-28/h6-11,19-20H,2-5,12-18H2,1H3/t20-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to 5-HT1A receptor				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50383155 (CHEMBL2031876) Show SMILES C[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r| Show InChI InChI=1S/C27H33N3O2/c1-20-5-4-15-30(20)26(31)22-8-6-21(7-9-22)23-10-11-25-24(19-23)12-16-29(27(25)32)18-17-28-13-2-3-14-28/h6-11,19-20H,2-5,12-18H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to D2 receptor				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50383155 (CHEMBL2031876) Show SMILES C[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r| Show InChI InChI=1S/C27H33N3O2/c1-20-5-4-15-30(20)26(31)22-8-6-21(7-9-22)23-10-11-25-24(19-23)12-16-29(27(25)32)18-17-28-13-2-3-14-28/h6-11,19-20H,2-5,12-18H2,1H3/t20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to 5-HT2B receptor				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Histamine H2 Receptor (Homo sapiens (Human))	BDBM50383155 (CHEMBL2031876) Show SMILES C[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r| Show InChI InChI=1S/C27H33N3O2/c1-20-5-4-15-30(20)26(31)22-8-6-21(7-9-22)23-10-11-25-24(19-23)12-16-29(27(25)32)18-17-28-13-2-3-14-28/h6-11,19-20H,2-5,12-18H2,1H3/t20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to H2 receptor				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50383155 (CHEMBL2031876) Show SMILES C[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r| Show InChI InChI=1S/C27H33N3O2/c1-20-5-4-15-30(20)26(31)22-8-6-21(7-9-22)23-10-11-25-24(19-23)12-16-29(27(25)32)18-17-28-13-2-3-14-28/h6-11,19-20H,2-5,12-18H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to H1 receptor				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50383155 (CHEMBL2031876) Show SMILES C[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r| Show InChI InChI=1S/C27H33N3O2/c1-20-5-4-15-30(20)26(31)22-8-6-21(7-9-22)23-10-11-25-24(19-23)12-16-29(27(25)32)18-17-28-13-2-3-14-28/h6-11,19-20H,2-5,12-18H2,1H3/t20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to 5-HT6 receptor				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50383155 (CHEMBL2031876) Show SMILES C[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r| Show InChI InChI=1S/C27H33N3O2/c1-20-5-4-15-30(20)26(31)22-8-6-21(7-9-22)23-10-11-25-24(19-23)12-16-29(27(25)32)18-17-28-13-2-3-14-28/h6-11,19-20H,2-5,12-18H2,1H3/t20-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to DAT				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50383155 (CHEMBL2031876) Show SMILES C[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r| Show InChI InChI=1S/C27H33N3O2/c1-20-5-4-15-30(20)26(31)22-8-6-21(7-9-22)23-10-11-25-24(19-23)12-16-29(27(25)32)18-17-28-13-2-3-14-28/h6-11,19-20H,2-5,12-18H2,1H3/t20-/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	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG by IonWorks assay				J Med Chem 55: 2452-68 (2012) Article DOI: 10.1021/jm300011d BindingDB Entry DOI: 10.7270/Q2736RZR
					More data for this Ligand-Target Pair