BDBM50303816 (R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)hexan-2-ol::CHEMBL566387

SMILES: CCCC[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1

InChI Key: InChIKey=PGLJJNSAIGTCHX-OEMFJLHTSA-N

Data: 1 KI  1 IC50  3 EC50

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 5 hits for monomerid = 50303816   

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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303816 ((R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES CCCC[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:11| Show InChI InChI=1S/C24H31FN2O/c1-4-5-13-24(3,28)21-8-6-7-18-14-20-22(17-9-11-19(25)12-10-17)26-16-27(20)15-23(18,21)2/h9-12,14,16,21,28H,4-8,13,15H2,1-3H3/t21-,23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303816 ((R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES CCCC[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:11| Show InChI InChI=1S/C24H31FN2O/c1-4-5-13-24(3,28)21-8-6-7-18-14-20-22(17-9-11-19(25)12-10-17)26-16-27(20)15-23(18,21)2/h9-12,14,16,21,28H,4-8,13,15H2,1-3H3/t21-,23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of IL-1-beta-induced NF-kappaB dependent E-s...				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303816 ((R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES CCCC[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:11| Show InChI InChI=1S/C24H31FN2O/c1-4-5-13-24(3,28)21-8-6-7-18-14-20-22(17-9-11-19(25)12-10-17)26-16-27(20)15-23(18,21)2/h9-12,14,16,21,28H,4-8,13,15H2,1-3H3/t21-,23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	34	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of PMA-induced AP1 activity after 6 hrs by l...				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303816 ((R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES CCCC[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:11| Show InChI InChI=1S/C24H31FN2O/c1-4-5-13-24(3,28)21-8-6-7-18-14-20-22(17-9-11-19(25)12-10-17)26-16-27(20)15-23(18,21)2/h9-12,14,16,21,28H,4-8,13,15H2,1-3H3/t21-,23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Transactivation of GAL-4 tagged glucocorticoid receptor ligand binding domain expressed in human HeLa cells assessed as NP1 activation by luciferase ...				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair
Androgen Receptor (Homo sapiens (Human))	BDBM50303816 ((R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES CCCC[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:11| Show InChI InChI=1S/C24H31FN2O/c1-4-5-13-24(3,28)21-8-6-7-18-14-20-22(17-9-11-19(25)12-10-17)26-16-27(20)15-23(18,21)2/h9-12,14,16,21,28H,4-8,13,15H2,1-3H3/t21-,23-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to androgen receptor				J Med Chem 53: 1270-80 (2010) Article DOI: 10.1021/jm901551w BindingDB Entry DOI: 10.7270/Q2KS6SGW
					More data for this Ligand-Target Pair