BDBM50087145 1N-{12-[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]dodecyl}-2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroisoquino[ ; dihydrochloride::CHEMBL551711

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

InChI Key: InChIKey=UAHJZOOCQKSYMU-MZEGINPWSA-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 = 50087145   

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))	BDBM50087145 (1N-{12-[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)NCCCCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 Show InChI InChI=1S/C52H72N6O4/c59-45-21-19-33-31-57-27-23-37-35-15-9-11-17-41(35)55-49(37)43(57)29-39(33)47(45)51(61)53-25-13-7-5-3-1-2-4-6-8-14-26-54-52(62)48-40-30-44-50-38(36-16-10-12-18-42(36)56-50)24-28-58(44)32-34(40)20-22-46(48)60/h9-12,15-18,33-34,39-40,43-48,55-56,59-60H,1-8,13-14,19-32H2,(H,53,61)(H,54,62)/t33-,34-,39-,40-,43-,44-,45-,46-,47+,48+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	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))	BDBM50087145 (1N-{12-[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)NCCCCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 Show InChI InChI=1S/C52H72N6O4/c59-45-21-19-33-31-57-27-23-37-35-15-9-11-17-41(35)55-49(37)43(57)29-39(33)47(45)51(61)53-25-13-7-5-3-1-2-4-6-8-14-26-54-52(62)48-40-30-44-50-38(36-16-10-12-18-42(36)56-50)24-28-58(44)32-34(40)20-22-46(48)60/h9-12,15-18,33-34,39-40,43-48,55-56,59-60H,1-8,13-14,19-32H2,(H,53,61)(H,54,62)/t33-,34-,39-,40-,43-,44-,45-,46-,47+,48+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	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