BDBM8582 (1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one::11-deoxycorticosterone::21-hydroxypregn-4-ene-3,20-dione::DOC::[4-14C]-11-deoxycorticosterone::deoxycorticosterone

SMILES: [H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C

InChI Key: InChIKey=ZESRJSPZRDMNHY-YFWFAHHUSA-N

Data: 5 KI  3 IC50  1 Kd

PDB links: 7 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 8582   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM8582 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 359: 1-6 (1999) Article DOI: 10.1007/pl00005315 BindingDB Entry DOI: 10.7270/Q2862F09
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM8582 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 359: 1-6 (1999) Article DOI: 10.1007/pl00005315 BindingDB Entry DOI: 10.7270/Q2862F09
					More data for this Ligand-Target Pair
Corticosteroid-binding globulin (Homo sapiens)	BDBM8582 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Binding affinity to human CBG receptor (corticosteroid-binding globulins)				J Med Chem 47: 2732-42 (2004) Article DOI: 10.1021/jm030364c BindingDB Entry DOI: 10.7270/Q2WM1H5Q
					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B) (RAT)	BDBM8582 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	26.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 359: 1-6 (1999) Article DOI: 10.1007/pl00005315 BindingDB Entry DOI: 10.7270/Q2862F09
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM8582 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	31.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 359: 1-6 (1999) Article DOI: 10.1007/pl00005315 BindingDB Entry DOI: 10.7270/Q2862F09
					More data for this Ligand-Target Pair
Adrenaline alpha2 (RAT)	BDBM8582 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar	Purchase CHEBI KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Georgia Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 20 uM) in OCT2-expressing HRPE cells				J Biol Chem 273: 32776-86 (1998) Article DOI: 10.1074/jbc.273.49.32776 BindingDB Entry DOI: 10.7270/Q2ZK5KHT
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM8582 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Ability to inhibit HMG-CoA reductase (HMGR) by cholesterol synthesis inhibition screen (CSI) in rats				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
					More data for this Ligand-Target Pair
Solute carrier family 22 member 3 (Rattus norvegicus)	BDBM8582 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1	MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEBI KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Georgia Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 20 uM) in OCT3-expressing HRPE cells				J Biol Chem 273: 32776-86 (1998) Article DOI: 10.1074/jbc.273.49.32776 BindingDB Entry DOI: 10.7270/Q2ZK5KHT
					More data for this Ligand-Target Pair
Testis-specific androgen-binding protein (Homo sapiens (Human))	BDBM8582 ((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a
University of British Columbia Curated by ChEMBL					Assay Description Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin				J Med Chem 51: 2047-56 (2008) Article DOI: 10.1021/jm7011485 BindingDB Entry DOI: 10.7270/Q2RX9DC2
					More data for this Ligand-Target Pair