BDBM50151073 (2S)-4-({4-[(10S,11S,14R,15S,17R)-14-ethynyl-14-hydroxy-15-methyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-17-yl]phenyl}(methyl)carbamoyl)-2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]butanoic acid::CHEMBL436859

SMILES: C[C@H](CCC(=O)N[C@@H](CCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

InChI Key: InChIKey=RFZAHUIHPLZLLA-LXGVTRKRSA-N

Data: 10 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 10 hits for monomerid = 50151073   

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
Progesterone receptor (Homo sapiens (Human))	BDBM50151073 ((2S)-4-({4-[(10S,11S,14R,15S,17R)-14-ethynyl-14-hy...) Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |t:36,43| Show InChI InChI=1S/C56H76N2O9/c1-7-56(67)25-23-42-39-15-11-33-26-36(59)14-16-38(33)50(39)40(30-54(42,56)4)32-9-12-35(13-10-32)58(6)49(64)21-19-45(52(65)66)57-48(63)20-8-31(2)41-17-18-43-51-44(29-47(62)55(41,43)5)53(3)24-22-37(60)27-34(53)28-46(51)61/h1,9-10,12-13,26,31,34,37,39-47,51,60-62,67H,8,11,14-25,27-30H2,2-6H3,(H,57,63)(H,65,66)/t31-,34+,37-,39+,40-,41-,42+,43+,44+,45+,46-,47+,51+,53+,54+,55-,56+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50151073 ((2S)-4-({4-[(10S,11S,14R,15S,17R)-14-ethynyl-14-hy...) Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |t:36,43| Show InChI InChI=1S/C56H76N2O9/c1-7-56(67)25-23-42-39-15-11-33-26-36(59)14-16-38(33)50(39)40(30-54(42,56)4)32-9-12-35(13-10-32)58(6)49(64)21-19-45(52(65)66)57-48(63)20-8-31(2)41-17-18-43-51-44(29-47(62)55(41,43)5)53(3)24-22-37(60)27-34(53)28-46(51)61/h1,9-10,12-13,26,31,34,37,39-47,51,60-62,67H,8,11,14-25,27-30H2,2-6H3,(H,57,63)(H,65,66)/t31-,34+,37-,39+,40-,41-,42+,43+,44+,45+,46-,47+,51+,53+,54+,55-,56+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Androgen Receptor (Homo sapiens (Human))	BDBM50151073 ((2S)-4-({4-[(10S,11S,14R,15S,17R)-14-ethynyl-14-hy...) Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |t:36,43| Show InChI InChI=1S/C56H76N2O9/c1-7-56(67)25-23-42-39-15-11-33-26-36(59)14-16-38(33)50(39)40(30-54(42,56)4)32-9-12-35(13-10-32)58(6)49(64)21-19-45(52(65)66)57-48(63)20-8-31(2)41-17-18-43-51-44(29-47(62)55(41,43)5)53(3)24-22-37(60)27-34(53)28-46(51)61/h1,9-10,12-13,26,31,34,37,39-47,51,60-62,67H,8,11,14-25,27-30H2,2-6H3,(H,57,63)(H,65,66)/t31-,34+,37-,39+,40-,41-,42+,43+,44+,45+,46-,47+,51+,53+,54+,55-,56+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50151073 ((2S)-4-({4-[(10S,11S,14R,15S,17R)-14-ethynyl-14-hy...) Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |t:36,43| Show InChI InChI=1S/C56H76N2O9/c1-7-56(67)25-23-42-39-15-11-33-26-36(59)14-16-38(33)50(39)40(30-54(42,56)4)32-9-12-35(13-10-32)58(6)49(64)21-19-45(52(65)66)57-48(63)20-8-31(2)41-17-18-43-51-44(29-47(62)55(41,43)5)53(3)24-22-37(60)27-34(53)28-46(51)61/h1,9-10,12-13,26,31,34,37,39-47,51,60-62,67H,8,11,14-25,27-30H2,2-6H3,(H,57,63)(H,65,66)/t31-,34+,37-,39+,40-,41-,42+,43+,44+,45+,46-,47+,51+,53+,54+,55-,56+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50151073 ((2S)-4-({4-[(10S,11S,14R,15S,17R)-14-ethynyl-14-hy...) Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |t:36,43| Show InChI InChI=1S/C56H76N2O9/c1-7-56(67)25-23-42-39-15-11-33-26-36(59)14-16-38(33)50(39)40(30-54(42,56)4)32-9-12-35(13-10-32)58(6)49(64)21-19-45(52(65)66)57-48(63)20-8-31(2)41-17-18-43-51-44(29-47(62)55(41,43)5)53(3)24-22-37(60)27-34(53)28-46(51)61/h1,9-10,12-13,26,31,34,37,39-47,51,60-62,67H,8,11,14-25,27-30H2,2-6H3,(H,57,63)(H,65,66)/t31-,34+,37-,39+,40-,41-,42+,43+,44+,45+,46-,47+,51+,53+,54+,55-,56+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50151073 ((2S)-4-({4-[(10S,11S,14R,15S,17R)-14-ethynyl-14-hy...) Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |t:36,43| Show InChI InChI=1S/C56H76N2O9/c1-7-56(67)25-23-42-39-15-11-33-26-36(59)14-16-38(33)50(39)40(30-54(42,56)4)32-9-12-35(13-10-32)58(6)49(64)21-19-45(52(65)66)57-48(63)20-8-31(2)41-17-18-43-51-44(29-47(62)55(41,43)5)53(3)24-22-37(60)27-34(53)28-46(51)61/h1,9-10,12-13,26,31,34,37,39-47,51,60-62,67H,8,11,14-25,27-30H2,2-6H3,(H,57,63)(H,65,66)/t31-,34+,37-,39+,40-,41-,42+,43+,44+,45+,46-,47+,51+,53+,54+,55-,56+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50151073 ((2S)-4-({4-[(10S,11S,14R,15S,17R)-14-ethynyl-14-hy...) Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |t:36,43| Show InChI InChI=1S/C56H76N2O9/c1-7-56(67)25-23-42-39-15-11-33-26-36(59)14-16-38(33)50(39)40(30-54(42,56)4)32-9-12-35(13-10-32)58(6)49(64)21-19-45(52(65)66)57-48(63)20-8-31(2)41-17-18-43-51-44(29-47(62)55(41,43)5)53(3)24-22-37(60)27-34(53)28-46(51)61/h1,9-10,12-13,26,31,34,37,39-47,51,60-62,67H,8,11,14-25,27-30H2,2-6H3,(H,57,63)(H,65,66)/t31-,34+,37-,39+,40-,41-,42+,43+,44+,45+,46-,47+,51+,53+,54+,55-,56+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of glucocorticoid receptor mediated tyrosine amino transferase 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
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50151073 ((2S)-4-({4-[(10S,11S,14R,15S,17R)-14-ethynyl-14-hy...) Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |t:36,43| Show InChI InChI=1S/C56H76N2O9/c1-7-56(67)25-23-42-39-15-11-33-26-36(59)14-16-38(33)50(39)40(30-54(42,56)4)32-9-12-35(13-10-32)58(6)49(64)21-19-45(52(65)66)57-48(63)20-8-31(2)41-17-18-43-51-44(29-47(62)55(41,43)5)53(3)24-22-37(60)27-34(53)28-46(51)61/h1,9-10,12-13,26,31,34,37,39-47,51,60-62,67H,8,11,14-25,27-30H2,2-6H3,(H,57,63)(H,65,66)/t31-,34+,37-,39+,40-,41-,42+,43+,44+,45+,46-,47+,51+,53+,54+,55-,56+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 alpha (Homo sapiens (Human))	BDBM50151073 ((2S)-4-({4-[(10S,11S,14R,15S,17R)-14-ethynyl-14-hy...) Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |t:36,43| Show InChI InChI=1S/C56H76N2O9/c1-7-56(67)25-23-42-39-15-11-33-26-36(59)14-16-38(33)50(39)40(30-54(42,56)4)32-9-12-35(13-10-32)58(6)49(64)21-19-45(52(65)66)57-48(63)20-8-31(2)41-17-18-43-51-44(29-47(62)55(41,43)5)53(3)24-22-37(60)27-34(53)28-46(51)61/h1,9-10,12-13,26,31,34,37,39-47,51,60-62,67H,8,11,14-25,27-30H2,2-6H3,(H,57,63)(H,65,66)/t31-,34+,37-,39+,40-,41-,42+,43+,44+,45+,46-,47+,51+,53+,54+,55-,56+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50151073 ((2S)-4-({4-[(10S,11S,14R,15S,17R)-14-ethynyl-14-hy...) Show SMILES C[C@H](CCC(=O)N[C@@H](CCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |t:36,43| Show InChI InChI=1S/C56H76N2O9/c1-7-56(67)25-23-42-39-15-11-33-26-36(59)14-16-38(33)50(39)40(30-54(42,56)4)32-9-12-35(13-10-32)58(6)49(64)21-19-45(52(65)66)57-48(63)20-8-31(2)41-17-18-43-51-44(29-47(62)55(41,43)5)53(3)24-22-37(60)27-34(53)28-46(51)61/h1,9-10,12-13,26,31,34,37,39-47,51,60-62,67H,8,11,14-25,27-30H2,2-6H3,(H,57,63)(H,65,66)/t31-,34+,37-,39+,40-,41-,42+,43+,44+,45+,46-,47+,51+,53+,54+,55-,56+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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