BDBM50416780 CHEMBL1242542

SMILES: COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCCC3=O)(O2)c2ccccc2)CC1

InChI Key: InChIKey=HCVFJHZVTICJEK-YIXXDRMTSA-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 = 50416780   

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-1D adrenergic receptor (Homo sapiens (Human))	BDBM50416780 (CHEMBL1242542) Show SMILES COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCCC3=O)(O2)c2ccccc2)CC1 |r| Show InChI InChI=1S/C27H35N3O4/c1-32-25-12-6-5-11-24(25)29-17-15-28(16-18-29)19-23-20-33-27(34-23,22-9-3-2-4-10-22)21-30-14-8-7-13-26(30)31/h2-6,9-12,23H,7-8,13-21H2,1H3/t23-,27-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement [3H]prazosin of human recombinant Alpha-1D adrenergic receptor expressed in CHO cells by rapid filtration technique				Eur J Med Chem 45: 3740-51 (2010) Article DOI: 10.1016/j.ejmech.2010.05.023 BindingDB Entry DOI: 10.7270/Q2ZS2XR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50416780 (CHEMBL1242542) Show SMILES COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCCC3=O)(O2)c2ccccc2)CC1 |r| Show InChI InChI=1S/C27H35N3O4/c1-32-25-12-6-5-11-24(25)29-17-15-28(16-18-29)19-23-20-33-27(34-23,22-9-3-2-4-10-22)21-30-14-8-7-13-26(30)31/h2-6,9-12,23H,7-8,13-21H2,1H3/t23-,27-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement [3H]8-OH-DPAT of human cloned 5HT1A receptor expressed in human HeLa cells by rapid filtration technique				Eur J Med Chem 45: 3740-51 (2010) Article DOI: 10.1016/j.ejmech.2010.05.023 BindingDB Entry DOI: 10.7270/Q2ZS2XR1
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50416780 (CHEMBL1242542) Show SMILES COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCCC3=O)(O2)c2ccccc2)CC1 |r| Show InChI InChI=1S/C27H35N3O4/c1-32-25-12-6-5-11-24(25)29-17-15-28(16-18-29)19-23-20-33-27(34-23,22-9-3-2-4-10-22)21-30-14-8-7-13-26(30)31/h2-6,9-12,23H,7-8,13-21H2,1H3/t23-,27-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement [3H]prazosin of human recombinant alpha1A adrenergic receptor expressed in CHO cells by rapid filtration technique				Eur J Med Chem 45: 3740-51 (2010) Article DOI: 10.1016/j.ejmech.2010.05.023 BindingDB Entry DOI: 10.7270/Q2ZS2XR1
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50416780 (CHEMBL1242542) Show SMILES COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCCC3=O)(O2)c2ccccc2)CC1 |r| Show InChI InChI=1S/C27H35N3O4/c1-32-25-12-6-5-11-24(25)29-17-15-28(16-18-29)19-23-20-33-27(34-23,22-9-3-2-4-10-22)21-30-14-8-7-13-26(30)31/h2-6,9-12,23H,7-8,13-21H2,1H3/t23-,27-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement [3H]prazosin of human recombinant Alpha-1B adrenergic receptor expressed in CHO cells by rapid filtration technique				Eur J Med Chem 45: 3740-51 (2010) Article DOI: 10.1016/j.ejmech.2010.05.023 BindingDB Entry DOI: 10.7270/Q2ZS2XR1
					More data for this Ligand-Target Pair