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BDBM50151074 CHEMBL364368::N-[4-((2R,8S,13S,14S,17R)-17-Ethynyl-17-hydroxy-13-methyl-3-oxo-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl)-phenyl]-N-methyl-acetamide

SMILES: CN(C(C)=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12

InChI Key: InChIKey=ZDCMJDVSSLHLLQ-GCNJZUOMSA-N

Data: 9 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 9 hits for monomerid = 50151074   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50151074
PNG
(CHEMBL364368 | N-[4-((2R,8S,13S,14S,17R)-17-Ethyny...)
Show SMILES CN(C(C)=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C29H33NO3/c1-5-29(33)15-14-26-24-12-8-20-16-22(32)11-13-23(20)27(24)25(17-28(26,29)3)19-6-9-21(10-7-19)30(4)18(2)31/h1,6-7,9-10,16,24-26,33H,8,11-15,17H2,2-4H3/t24-,25+,26-,28-,29-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50151074
PNG
(CHEMBL364368 | N-[4-((2R,8S,13S,14S,17R)-17-Ethyny...)
Show SMILES CN(C(C)=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C29H33NO3/c1-5-29(33)15-14-26-24-12-8-20-16-22(32)11-13-23(20)27(24)25(17-28(26,29)3)19-6-9-21(10-7-19)30(4)18(2)31/h1,6-7,9-10,16,24-26,33H,8,11-15,17H2,2-4H3/t24-,25+,26-,28-,29-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid receptor dependent alkaline phosphatase activity


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50151074
PNG
(CHEMBL364368 | N-[4-((2R,8S,13S,14S,17R)-17-Ethyny...)
Show SMILES CN(C(C)=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C29H33NO3/c1-5-29(33)15-14-26-24-12-8-20-16-22(32)11-13-23(20)27(24)25(17-28(26,29)3)19-6-9-21(10-7-19)30(4)18(2)31/h1,6-7,9-10,16,24-26,33H,8,11-15,17H2,2-4H3/t24-,25+,26-,28-,29-/m0/s1
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6.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human progesterone receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50151074
PNG
(CHEMBL364368 | N-[4-((2R,8S,13S,14S,17R)-17-Ethyny...)
Show SMILES CN(C(C)=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C29H33NO3/c1-5-29(33)15-14-26-24-12-8-20-16-22(32)11-13-23(20)27(24)25(17-28(26,29)3)19-6-9-21(10-7-19)30(4)18(2)31/h1,6-7,9-10,16,24-26,33H,8,11-15,17H2,2-4H3/t24-,25+,26-,28-,29-/m0/s1
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8.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human androgen receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50151074
PNG
(CHEMBL364368 | N-[4-((2R,8S,13S,14S,17R)-17-Ethyny...)
Show SMILES CN(C(C)=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C29H33NO3/c1-5-29(33)15-14-26-24-12-8-20-16-22(32)11-13-23(20)27(24)25(17-28(26,29)3)19-6-9-21(10-7-19)30(4)18(2)31/h1,6-7,9-10,16,24-26,33H,8,11-15,17H2,2-4H3/t24-,25+,26-,28-,29-/m0/s1
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34n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Estrogen receptor alpha


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50151074
PNG
(CHEMBL364368 | N-[4-((2R,8S,13S,14S,17R)-17-Ethyny...)
Show SMILES CN(C(C)=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C29H33NO3/c1-5-29(33)15-14-26-24-12-8-20-16-22(32)11-13-23(20)27(24)25(17-28(26,29)3)19-6-9-21(10-7-19)30(4)18(2)31/h1,6-7,9-10,16,24-26,33H,8,11-15,17H2,2-4H3/t24-,25+,26-,28-,29-/m0/s1
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570n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Estrogen receptor beta


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50151074
PNG
(CHEMBL364368 | N-[4-((2R,8S,13S,14S,17R)-17-Ethyny...)
Show SMILES CN(C(C)=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C29H33NO3/c1-5-29(33)15-14-26-24-12-8-20-16-22(32)11-13-23(20)27(24)25(17-28(26,29)3)19-6-9-21(10-7-19)30(4)18(2)31/h1,6-7,9-10,16,24-26,33H,8,11-15,17H2,2-4H3/t24-,25+,26-,28-,29-/m0/s1
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790n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Thyroid hormone receptor alpha


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50151074
PNG
(CHEMBL364368 | N-[4-((2R,8S,13S,14S,17R)-17-Ethyny...)
Show SMILES CN(C(C)=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C29H33NO3/c1-5-29(33)15-14-26-24-12-8-20-16-22(32)11-13-23(20)27(24)25(17-28(26,29)3)19-6-9-21(10-7-19)30(4)18(2)31/h1,6-7,9-10,16,24-26,33H,8,11-15,17H2,2-4H3/t24-,25+,26-,28-,29-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Mineralocorticoid receptor


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50151074
PNG
(CHEMBL364368 | N-[4-((2R,8S,13S,14S,17R)-17-Ethyny...)
Show SMILES CN(C(C)=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C29H33NO3/c1-5-29(33)15-14-26-24-12-8-20-16-22(32)11-13-23(20)27(24)25(17-28(26,29)3)19-6-9-21(10-7-19)30(4)18(2)31/h1,6-7,9-10,16,24-26,33H,8,11-15,17H2,2-4H3/t24-,25+,26-,28-,29-/m0/s1
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>2.25E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Thyroid hormone receptor beta


J Med Chem 47: 4213-30 (2004)


Article DOI: 10.1021/jm0400045
BindingDB Entry DOI: 10.7270/Q22N532T
More data for this
Ligand-Target Pair