BDBM50087152 1N-{7-[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]heptyl}-2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroisoquino[3, ;dihydrochloride::CHEMBL543232

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

InChI Key: InChIKey=MCEACDKESZXNJS-PJNBFDTGSA-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 = 50087152   

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))	BDBM50087152 (1N-{7-[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)NCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 Show InChI InChI=1S/C47H62N6O4/c54-40-16-14-28-26-52-22-18-32-30-10-4-6-12-36(30)50-44(32)38(52)24-34(28)42(40)46(56)48-20-8-2-1-3-9-21-49-47(57)43-35-25-39-45-33(31-11-5-7-13-37(31)51-45)19-23-53(39)27-29(35)15-17-41(43)55/h4-7,10-13,28-29,34-35,38-43,50-51,54-55H,1-3,8-9,14-27H2,(H,48,56)(H,49,57)/t28-,29-,34-,35-,38-,39-,40-,41-,42+,43+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.870	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))	BDBM50087152 (1N-{7-[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)NCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 Show InChI InChI=1S/C47H62N6O4/c54-40-16-14-28-26-52-22-18-32-30-10-4-6-12-36(30)50-44(32)38(52)24-34(28)42(40)46(56)48-20-8-2-1-3-9-21-49-47(57)43-35-25-39-45-33(31-11-5-7-13-37(31)51-45)19-23-53(39)27-29(35)15-17-41(43)55/h4-7,10-13,28-29,34-35,38-43,50-51,54-55H,1-3,8-9,14-27H2,(H,48,56)(H,49,57)/t28-,29-,34-,35-,38-,39-,40-,41-,42+,43+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	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