BDBM50151066 (4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-({[({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)methyl]carbamoyl}oxy)-9,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid::CHEMBL411185

SMILES: C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCC(=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

InChI Key: InChIKey=DLXBCJBMEVKPIX-DYIFYJHRSA-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 = 50151066   

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))	BDBM50151066 ((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-({[({4...) Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCC(=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 |t:63,70| Show InChI InChI=1S/C54H72N2O9/c1-7-54(64)23-21-41-38-15-11-32-24-35(57)14-16-37(32)48(38)39(28-52(41,54)4)31-9-12-34(13-10-31)56(6)46(60)29-55-50(63)65-36-20-22-51(3)33(25-36)26-44(58)49-42-18-17-40(30(2)8-19-47(61)62)53(42,5)45(59)27-43(49)51/h1,9-10,12-13,24,30,33,36,38-45,49,58-59,64H,8,11,14-23,25-29H2,2-6H3,(H,55,63)(H,61,62)/t30-,33+,36?,38+,39-,40-,41+,42+,43+,44-,45+,49+,51+,52+,53-,54+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	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
Progesterone receptor (Homo sapiens (Human))	BDBM50151066 ((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-({[({4...) Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCC(=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 |t:63,70| Show InChI InChI=1S/C54H72N2O9/c1-7-54(64)23-21-41-38-15-11-32-24-35(57)14-16-37(32)48(38)39(28-52(41,54)4)31-9-12-34(13-10-31)56(6)46(60)29-55-50(63)65-36-20-22-51(3)33(25-36)26-44(58)49-42-18-17-40(30(2)8-19-47(61)62)53(42,5)45(59)27-43(49)51/h1,9-10,12-13,24,30,33,36,38-45,49,58-59,64H,8,11,14-23,25-29H2,2-6H3,(H,55,63)(H,61,62)/t30-,33+,36?,38+,39-,40-,41+,42+,43+,44-,45+,49+,51+,52+,53-,54+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	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
Estrogen receptor (Homo sapiens (Human))	BDBM50151066 ((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-({[({4...) Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCC(=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 |t:63,70| Show InChI InChI=1S/C54H72N2O9/c1-7-54(64)23-21-41-38-15-11-32-24-35(57)14-16-37(32)48(38)39(28-52(41,54)4)31-9-12-34(13-10-31)56(6)46(60)29-55-50(63)65-36-20-22-51(3)33(25-36)26-44(58)49-42-18-17-40(30(2)8-19-47(61)62)53(42,5)45(59)27-43(49)51/h1,9-10,12-13,24,30,33,36,38-45,49,58-59,64H,8,11,14-23,25-29H2,2-6H3,(H,55,63)(H,61,62)/t30-,33+,36?,38+,39-,40-,41+,42+,43+,44-,45+,49+,51+,52+,53-,54+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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
Androgen Receptor (Homo sapiens (Human))	BDBM50151066 ((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-({[({4...) Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCC(=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 |t:63,70| Show InChI InChI=1S/C54H72N2O9/c1-7-54(64)23-21-41-38-15-11-32-24-35(57)14-16-37(32)48(38)39(28-52(41,54)4)31-9-12-34(13-10-31)56(6)46(60)29-55-50(63)65-36-20-22-51(3)33(25-36)26-44(58)49-42-18-17-40(30(2)8-19-47(61)62)53(42,5)45(59)27-43(49)51/h1,9-10,12-13,24,30,33,36,38-45,49,58-59,64H,8,11,14-23,25-29H2,2-6H3,(H,55,63)(H,61,62)/t30-,33+,36?,38+,39-,40-,41+,42+,43+,44-,45+,49+,51+,52+,53-,54+/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	21	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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50151066 ((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-({[({4...) Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCC(=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 |t:63,70| Show InChI InChI=1S/C54H72N2O9/c1-7-54(64)23-21-41-38-15-11-32-24-35(57)14-16-37(32)48(38)39(28-52(41,54)4)31-9-12-34(13-10-31)56(6)46(60)29-55-50(63)65-36-20-22-51(3)33(25-36)26-44(58)49-42-18-17-40(30(2)8-19-47(61)62)53(42,5)45(59)27-43(49)51/h1,9-10,12-13,24,30,33,36,38-45,49,58-59,64H,8,11,14-23,25-29H2,2-6H3,(H,55,63)(H,61,62)/t30-,33+,36?,38+,39-,40-,41+,42+,43+,44-,45+,49+,51+,52+,53-,54+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM50151066 ((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-({[({4...) Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCC(=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 |t:63,70| Show InChI InChI=1S/C54H72N2O9/c1-7-54(64)23-21-41-38-15-11-32-24-35(57)14-16-37(32)48(38)39(28-52(41,54)4)31-9-12-34(13-10-31)56(6)46(60)29-55-50(63)65-36-20-22-51(3)33(25-36)26-44(58)49-42-18-17-40(30(2)8-19-47(61)62)53(42,5)45(59)27-43(49)51/h1,9-10,12-13,24,30,33,36,38-45,49,58-59,64H,8,11,14-23,25-29H2,2-6H3,(H,55,63)(H,61,62)/t30-,33+,36?,38+,39-,40-,41+,42+,43+,44-,45+,49+,51+,52+,53-,54+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	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
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50151066 ((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-({[({4...) Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCC(=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 |t:63,70| Show InChI InChI=1S/C54H72N2O9/c1-7-54(64)23-21-41-38-15-11-32-24-35(57)14-16-37(32)48(38)39(28-52(41,54)4)31-9-12-34(13-10-31)56(6)46(60)29-55-50(63)65-36-20-22-51(3)33(25-36)26-44(58)49-42-18-17-40(30(2)8-19-47(61)62)53(42,5)45(59)27-43(49)51/h1,9-10,12-13,24,30,33,36,38-45,49,58-59,64H,8,11,14-23,25-29H2,2-6H3,(H,55,63)(H,61,62)/t30-,33+,36?,38+,39-,40-,41+,42+,43+,44-,45+,49+,51+,52+,53-,54+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50151066 ((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-({[({4...) Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCC(=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 |t:63,70| Show InChI InChI=1S/C54H72N2O9/c1-7-54(64)23-21-41-38-15-11-32-24-35(57)14-16-37(32)48(38)39(28-52(41,54)4)31-9-12-34(13-10-31)56(6)46(60)29-55-50(63)65-36-20-22-51(3)33(25-36)26-44(58)49-42-18-17-40(30(2)8-19-47(61)62)53(42,5)45(59)27-43(49)51/h1,9-10,12-13,24,30,33,36,38-45,49,58-59,64H,8,11,14-23,25-29H2,2-6H3,(H,55,63)(H,61,62)/t30-,33+,36?,38+,39-,40-,41+,42+,43+,44-,45+,49+,51+,52+,53-,54+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	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
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50151066 ((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-({[({4...) Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCC(=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 |t:63,70| Show InChI InChI=1S/C54H72N2O9/c1-7-54(64)23-21-41-38-15-11-32-24-35(57)14-16-37(32)48(38)39(28-52(41,54)4)31-9-12-34(13-10-31)56(6)46(60)29-55-50(63)65-36-20-22-51(3)33(25-36)26-44(58)49-42-18-17-40(30(2)8-19-47(61)62)53(42,5)45(59)27-43(49)51/h1,9-10,12-13,24,30,33,36,38-45,49,58-59,64H,8,11,14-23,25-29H2,2-6H3,(H,55,63)(H,61,62)/t30-,33+,36?,38+,39-,40-,41+,42+,43+,44-,45+,49+,51+,52+,53-,54+/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	1.10E+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))	BDBM50151066 ((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-({[({4...) Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCC(=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 |t:63,70| Show InChI InChI=1S/C54H72N2O9/c1-7-54(64)23-21-41-38-15-11-32-24-35(57)14-16-37(32)48(38)39(28-52(41,54)4)31-9-12-34(13-10-31)56(6)46(60)29-55-50(63)65-36-20-22-51(3)33(25-36)26-44(58)49-42-18-17-40(30(2)8-19-47(61)62)53(42,5)45(59)27-43(49)51/h1,9-10,12-13,24,30,33,36,38-45,49,58-59,64H,8,11,14-23,25-29H2,2-6H3,(H,55,63)(H,61,62)/t30-,33+,36?,38+,39-,40-,41+,42+,43+,44-,45+,49+,51+,52+,53-,54+/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