BDBM50303815 (R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)pent-4-en-2-ol::CHEMBL565320

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

InChI Key: InChIKey=FBQILQSOCPDASN-ACIOBRDBSA-N

Data: 2 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 6 hits for monomerid = 50303815   

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))	BDBM50303815 ((R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES C[C@@](O)(CC=C)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:10| Show InChI InChI=1S/C23H27FN2O/c1-4-12-23(3,27)20-7-5-6-17-13-19-21(16-8-10-18(24)11-9-16)25-15-26(19)14-22(17,20)2/h4,8-11,13,15,20,27H,1,5-7,12,14H2,2-3H3/t20-,22-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	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
Progesterone receptor (Homo sapiens (Human))	BDBM50303815 ((R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES C[C@@](O)(CC=C)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:10| Show InChI InChI=1S/C23H27FN2O/c1-4-12-23(3,27)20-7-5-6-17-13-19-21(16-8-10-18(24)11-9-16)25-15-26(19)14-22(17,20)2/h4,8-11,13,15,20,27H,1,5-7,12,14H2,2-3H3/t20-,22-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.81E+3	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 Binding affinity to progesterone 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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303815 ((R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES C[C@@](O)(CC=C)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:10| Show InChI InChI=1S/C23H27FN2O/c1-4-12-23(3,27)20-7-5-6-17-13-19-21(16-8-10-18(24)11-9-16)25-15-26(19)14-22(17,20)2/h4,8-11,13,15,20,27H,1,5-7,12,14H2,2-3H3/t20-,22-,23+/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	57	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
Androgen Receptor (Homo sapiens (Human))	BDBM50303815 ((R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES C[C@@](O)(CC=C)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:10| Show InChI InChI=1S/C23H27FN2O/c1-4-12-23(3,27)20-7-5-6-17-13-19-21(16-8-10-18(24)11-9-16)25-15-26(19)14-22(17,20)2/h4,8-11,13,15,20,27H,1,5-7,12,14H2,2-3H3/t20-,22-,23+/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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50303815 ((R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES C[C@@](O)(CC=C)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:10| Show InChI InChI=1S/C23H27FN2O/c1-4-12-23(3,27)20-7-5-6-17-13-19-21(16-8-10-18(24)11-9-16)25-15-26(19)14-22(17,20)2/h4,8-11,13,15,20,27H,1,5-7,12,14H2,2-3H3/t20-,22-,23+/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	79	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))	BDBM50303815 ((R)-2-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,...) Show SMILES C[C@@](O)(CC=C)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:10| Show InChI InChI=1S/C23H27FN2O/c1-4-12-23(3,27)20-7-5-6-17-13-19-21(16-8-10-18(24)11-9-16)25-15-26(19)14-22(17,20)2/h4,8-11,13,15,20,27H,1,5-7,12,14H2,2-3H3/t20-,22-,23+/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	>5.00E+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