BDBM50287720 6,7-Dibromo-3-[(2S,5R)-5-(6-bromo-1H-indol-3-yl)-4-methyl-piperazin-2-yl]-1H-indol-4-ol::CHEMBL302882

SMILES: CN1C[C@@H](NC[C@H]1c1c[nH]c2cc(Br)ccc12)c1c[nH]c2c(Br)c(Br)cc(O)c12

InChI Key: InChIKey=AUJKXAIGSXKZBR-SJORKVTESA-N

Data: 4 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 4 hits for monomerid = 50287720   

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 alpha1B (Homo sapiens (Human))	BDBM50287720 (6,7-Dibromo-3-[(2S,5R)-5-(6-bromo-1H-indol-3-yl)-4...) Show SMILES CN1C[C@@H](NC[C@H]1c1c[nH]c2cc(Br)ccc12)c1c[nH]c2c(Br)c(Br)cc(O)c12 Show InChI InChI=1S/C21H19Br3N4O/c1-28-9-16(13-7-27-21-19(13)18(29)5-14(23)20(21)24)26-8-17(28)12-6-25-15-4-10(22)2-3-11(12)15/h2-7,16-17,25-27,29H,8-9H2,1H3/t16-,17+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against human Alpha-1b adrenergic receptor				Bioorg Med Chem Lett 6: 2103-2106 (1996) Article DOI: 10.1016/0960-894X(96)00376-9 BindingDB Entry DOI: 10.7270/Q2SJ1KMR
					More data for this Ligand-Target Pair
Adrenergic receptor alpha (Homo sapiens (Human))	BDBM50287720 (6,7-Dibromo-3-[(2S,5R)-5-(6-bromo-1H-indol-3-yl)-4...) Show SMILES CN1C[C@@H](NC[C@H]1c1c[nH]c2cc(Br)ccc12)c1c[nH]c2c(Br)c(Br)cc(O)c12 Show InChI InChI=1S/C21H19Br3N4O/c1-28-9-16(13-7-27-21-19(13)18(29)5-14(23)20(21)24)26-8-17(28)12-6-25-15-4-10(22)2-3-11(12)15/h2-7,16-17,25-27,29H,8-9H2,1H3/t16-,17+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards Rat-1 cells stably expressing hamster Alpha-1b adrenergic receptor by displacing [125I]-HEAT (2-...				Bioorg Med Chem Lett 6: 2103-2106 (1996) Article DOI: 10.1016/0960-894X(96)00376-9 BindingDB Entry DOI: 10.7270/Q2SJ1KMR
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50287720 (6,7-Dibromo-3-[(2S,5R)-5-(6-bromo-1H-indol-3-yl)-4...) Show SMILES CN1C[C@@H](NC[C@H]1c1c[nH]c2cc(Br)ccc12)c1c[nH]c2c(Br)c(Br)cc(O)c12 Show InChI InChI=1S/C21H19Br3N4O/c1-28-9-16(13-7-27-21-19(13)18(29)5-14(23)20(21)24)26-8-17(28)12-6-25-15-4-10(22)2-3-11(12)15/h2-7,16-17,25-27,29H,8-9H2,1H3/t16-,17+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity was determined against Alpha-1a adrenergic receptor				Bioorg Med Chem Lett 6: 2103-2106 (1996) Article DOI: 10.1016/0960-894X(96)00376-9 BindingDB Entry DOI: 10.7270/Q2SJ1KMR
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50287720 (6,7-Dibromo-3-[(2S,5R)-5-(6-bromo-1H-indol-3-yl)-4...) Show SMILES CN1C[C@@H](NC[C@H]1c1c[nH]c2cc(Br)ccc12)c1c[nH]c2c(Br)c(Br)cc(O)c12 Show InChI InChI=1S/C21H19Br3N4O/c1-28-9-16(13-7-27-21-19(13)18(29)5-14(23)20(21)24)26-8-17(28)12-6-25-15-4-10(22)2-3-11(12)15/h2-7,16-17,25-27,29H,8-9H2,1H3/t16-,17+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards CHO cells expressing human Alpha-1a adrenergic receptor by displacing [125I]-HEAT (2-beta-(4-hyd...				Bioorg Med Chem Lett 6: 2103-2106 (1996) Article DOI: 10.1016/0960-894X(96)00376-9 BindingDB Entry DOI: 10.7270/Q2SJ1KMR
					More data for this Ligand-Target Pair