BDBM50303813 (S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)-1-(thiophen-3-yl)ethanol::CHEMBL569044

SMILES: C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccsc1

InChI Key: InChIKey=VPZJTZXCPYAMHY-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 = 50303813   

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))	BDBM50303813 ((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccsc1 |r,t:7| Show InChI InChI=1S/C24H25FN2OS/c1-23-14-27-15-26-22(16-6-8-19(25)9-7-16)20(27)12-17(23)4-3-5-21(23)24(2,28)18-10-11-29-13-18/h6-13,15,21,28H,3-5,14H2,1-2H3/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	1	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))	BDBM50303813 ((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccsc1 |r,t:7| Show InChI InChI=1S/C24H25FN2OS/c1-23-14-27-15-26-22(16-6-8-19(25)9-7-16)20(27)12-17(23)4-3-5-21(23)24(2,28)18-10-11-29-13-18/h6-13,15,21,28H,3-5,14H2,1-2H3/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	37	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))	BDBM50303813 ((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccsc1 |r,t:7| Show InChI InChI=1S/C24H25FN2OS/c1-23-14-27-15-26-22(16-6-8-19(25)9-7-16)20(27)12-17(23)4-3-5-21(23)24(2,28)18-10-11-29-13-18/h6-13,15,21,28H,3-5,14H2,1-2H3/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	5	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))	BDBM50303813 ((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccsc1 |r,t:7| Show InChI InChI=1S/C24H25FN2OS/c1-23-14-27-15-26-22(16-6-8-19(25)9-7-16)20(27)12-17(23)4-3-5-21(23)24(2,28)18-10-11-29-13-18/h6-13,15,21,28H,3-5,14H2,1-2H3/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	>1.00E+4	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))	BDBM50303813 ((S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccsc1 |r,t:7| Show InChI InChI=1S/C24H25FN2OS/c1-23-14-27-15-26-22(16-6-8-19(25)9-7-16)20(27)12-17(23)4-3-5-21(23)24(2,28)18-10-11-29-13-18/h6-13,15,21,28H,3-5,14H2,1-2H3/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