BDBM50409041 CHEMBL2111947

SMILES: C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H]1CN1

InChI Key: InChIKey=OUKGIXVCYSGPFV-YHVBFONYSA-N

Data: 2 KI  6 IC50

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 8 hits for monomerid = 50409041   

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
Cytochrome P450 17A1 (Rattus norvegicus (Rat))	BDBM50409041 (CHEMBL2111947) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H]1CN1 |r,t:7| Show InChI InChI=1S/C21H33NO/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19-12-22-19)21(16,2)10-8-17(15)20/h3,14-19,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,19+,20-,21-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Binding affinity for Cytochrome P450 17 from rat testicular microsomes				J Med Chem 43: 4437-45 (2000) BindingDB Entry DOI: 10.7270/Q25H7FH3
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50409041 (CHEMBL2111947) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H]1CN1 |r,t:7| Show InChI InChI=1S/C21H33NO/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19-12-22-19)21(16,2)10-8-17(15)20/h3,14-19,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,19+,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Binding affinity for Cytochrome P450 17 from human testicular microsomes				J Med Chem 43: 4437-45 (2000) BindingDB Entry DOI: 10.7270/Q25H7FH3
					More data for this Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50409041 (CHEMBL2111947) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H]1CN1 |r,t:7| Show InChI InChI=1S/C21H33NO/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19-12-22-19)21(16,2)10-8-17(15)20/h3,14-19,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,19+,20-,21-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Inhibition of thromboxane synthase P450 TXA2				J Med Chem 43: 4437-45 (2000) BindingDB Entry DOI: 10.7270/Q25H7FH3
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50409041 (CHEMBL2111947) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H]1CN1 |r,t:7| Show InChI InChI=1S/C21H33NO/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19-12-22-19)21(16,2)10-8-17(15)20/h3,14-19,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,19+,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1				J Med Chem 43: 4437-45 (2000) BindingDB Entry DOI: 10.7270/Q25H7FH3
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50409041 (CHEMBL2111947) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H]1CN1 |r,t:7| Show InChI InChI=1S/C21H33NO/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19-12-22-19)21(16,2)10-8-17(15)20/h3,14-19,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,19+,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase type 2 isozyme				J Med Chem 43: 4437-45 (2000) BindingDB Entry DOI: 10.7270/Q25H7FH3
					More data for this Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1) (Bos taurus (Bovine))	BDBM50409041 (CHEMBL2111947) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H]1CN1 |r,t:7| Show InChI InChI=1S/C21H33NO/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19-12-22-19)21(16,2)10-8-17(15)20/h3,14-19,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,19+,20-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Inhibition of P450 scc				J Med Chem 43: 4437-45 (2000) BindingDB Entry DOI: 10.7270/Q25H7FH3
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50409041 (CHEMBL2111947) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H]1CN1 |r,t:7| Show InChI InChI=1S/C21H33NO/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19-12-22-19)21(16,2)10-8-17(15)20/h3,14-19,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,19+,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Tested for inhibitory activity against Cytochrome P450 17 from human testicular microsomes				J Med Chem 43: 4437-45 (2000) BindingDB Entry DOI: 10.7270/Q25H7FH3
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Rattus norvegicus (Rat))	BDBM50409041 (CHEMBL2111947) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H]1CN1 |r,t:7| Show InChI InChI=1S/C21H33NO/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19-12-22-19)21(16,2)10-8-17(15)20/h3,14-19,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,19+,20-,21-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 17 from rat testicular microsomes				J Med Chem 43: 4437-45 (2000) BindingDB Entry DOI: 10.7270/Q25H7FH3
					More data for this Ligand-Target Pair