BDBM50087150 1N-{3-[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]propyl}-2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroisoquino[3, ;dihydrochloride::CHEMBL540594

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

InChI Key: InChIKey=OIXDQFQFMZDLEJ-XGOPIZSISA-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 = 50087150   

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))	BDBM50087150 (1N-{3-[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)NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 Show InChI InChI=1S/C43H54N6O4/c50-36-12-10-24-22-48-18-14-28-26-6-1-3-8-32(26)46-40(28)34(48)20-30(24)38(36)42(52)44-16-5-17-45-43(53)39-31-21-35-41-29(27-7-2-4-9-33(27)47-41)15-19-49(35)23-25(31)11-13-37(39)51/h1-4,6-9,24-25,30-31,34-39,46-47,50-51H,5,10-23H2,(H,44,52)(H,45,53)/t24-,25-,30-,31-,34-,35-,36-,37-,38+,39+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	52	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))	BDBM50087150 (1N-{3-[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)NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 Show InChI InChI=1S/C43H54N6O4/c50-36-12-10-24-22-48-18-14-28-26-6-1-3-8-32(26)46-40(28)34(48)20-30(24)38(36)42(52)44-16-5-17-45-43(53)39-31-21-35-41-29(27-7-2-4-9-33(27)47-41)15-19-49(35)23-25(31)11-13-37(39)51/h1-4,6-9,24-25,30-31,34-39,46-47,50-51H,5,10-23H2,(H,44,52)(H,45,53)/t24-,25-,30-,31-,34-,35-,36-,37-,38+,39+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	990	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