BDBM50087148 1N-{9-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroisoquino[3,2-a]b-carbolin-1-ylcarboxamido]nonyl}-2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroisoquino[3,2 ;dihydrochloride::CHEMBL539606

SMILES: O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

InChI Key: InChIKey=VRGYNRWBJRCLQF-UEQFKLPZSA-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 = 50087148   

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
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50087148 (1N-{9-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,...) Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 Show InChI InChI=1S/C49H66N6O4/c56-42-18-16-30-28-54-24-20-34-32-12-6-8-14-38(32)52-46(34)40(54)26-36(30)44(42)48(58)50-22-10-4-2-1-3-5-11-23-51-49(59)45-37-27-41-47-35(33-13-7-9-15-39(33)53-47)21-25-55(41)29-31(37)17-19-43(45)57/h6-9,12-15,30-31,36-37,40-45,52-53,56-57H,1-5,10-11,16-29H2,(H,50,58)(H,51,59)/t30-,31-,36-,37-,40-,41-,42-,43-,44+,45+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Curated by ChEMBL					Assay Description Binding affinity against human Alpha-2A adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand				Bioorg Med Chem Lett 10: 627-30 (2000) BindingDB Entry DOI: 10.7270/Q2WM1DXB
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50087148 (1N-{9-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,...) Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 Show InChI InChI=1S/C49H66N6O4/c56-42-18-16-30-28-54-24-20-34-32-12-6-8-14-38(32)52-46(34)40(54)26-36(30)44(42)48(58)50-22-10-4-2-1-3-5-11-23-51-49(59)45-37-27-41-47-35(33-13-7-9-15-39(33)53-47)21-25-55(41)29-31(37)17-19-43(45)57/h6-9,12-15,30-31,36-37,40-45,52-53,56-57H,1-5,10-11,16-29H2,(H,50,58)(H,51,59)/t30-,31-,36-,37-,40-,41-,42-,43-,44+,45+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Curated by ChEMBL					Assay Description Binding affinity against human alpha 2b-adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand				Bioorg Med Chem Lett 10: 627-30 (2000) BindingDB Entry DOI: 10.7270/Q2WM1DXB
					More data for this Ligand-Target Pair