BDBM50500003 CHEMBL3742103

SMILES: Cc1ccc(Cl)cc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1

InChI Key: InChIKey=KBTJLOFDXLWJAS-UHFFFAOYSA-N

Data: 3 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 = 50500003   

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
Adrenergic receptor (Homo sapiens (Human))	BDBM50500003 (CHEMBL3742103) Show SMILES Cc1ccc(Cl)cc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 Show InChI InChI=1S/C28H28ClN3O2/c1-20-6-11-23(29)18-26(20)31-16-14-30(15-17-31)13-12-21-7-9-22(10-8-21)19-32-27(33)24-4-2-3-5-25(24)28(32)34/h2-11,18H,12-17,19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly and renilla dual glo luciferase assay				Bioorg Med Chem 23: 7735-42 (2015) Article DOI: 10.1016/j.bmc.2015.11.020 BindingDB Entry DOI: 10.7270/Q2K0779G
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50500003 (CHEMBL3742103) Show SMILES Cc1ccc(Cl)cc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 Show InChI InChI=1S/C28H28ClN3O2/c1-20-6-11-23(29)18-26(20)31-16-14-30(15-17-31)13-12-21-7-9-22(10-8-21)19-32-27(33)24-4-2-3-5-25(24)28(32)34/h2-11,18H,12-17,19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly and renilla dual glo luciferase assay				Bioorg Med Chem 23: 7735-42 (2015) Article DOI: 10.1016/j.bmc.2015.11.020 BindingDB Entry DOI: 10.7270/Q2K0779G
					More data for this Ligand-Target Pair
Adrenergic receptor (Homo sapiens (Human))	BDBM50500003 (CHEMBL3742103) Show SMILES Cc1ccc(Cl)cc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 Show InChI InChI=1S/C28H28ClN3O2/c1-20-6-11-23(29)18-26(20)31-16-14-30(15-17-31)13-12-21-7-9-22(10-8-21)19-32-27(33)24-4-2-3-5-25(24)28(32)34/h2-11,18H,12-17,19H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly and renilla dual glo luciferase assay				Bioorg Med Chem 23: 7735-42 (2015) Article DOI: 10.1016/j.bmc.2015.11.020 BindingDB Entry DOI: 10.7270/Q2K0779G
					More data for this Ligand-Target Pair