BDBM50094191 17-Aziridin-2-ylmethyl-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol::CHEMBL341591

SMILES: CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2CC1CN1

InChI Key: InChIKey=KRFWHRJXDKUGAA-UHFFFAOYSA-N

Data: 2 KI  5 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 7 hits for monomerid = 50094191   

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 (Homo sapiens (Human))	BDBM50094191 (17-Aziridin-2-ylmethyl-10,13-dimethyl-2,3,4,7,8,9,...) Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2CC1CN1 |t:7| Show InChI InChI=1S/C22H35NO/c1-21-9-7-17(24)12-15(21)3-5-18-19-6-4-14(11-16-13-23-16)22(19,2)10-8-20(18)21/h3,14,16-20,23-24H,4-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	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
Cytochrome P450 17A1 (Rattus norvegicus (Rat))	BDBM50094191 (17-Aziridin-2-ylmethyl-10,13-dimethyl-2,3,4,7,8,9,...) Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2CC1CN1 |t:7| Show InChI InChI=1S/C22H35NO/c1-21-9-7-17(24)12-15(21)3-5-18-19-6-4-14(11-16-13-23-16)22(19,2)10-8-20(18)21/h3,14,16-20,23-24H,4-13H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	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 (Rattus norvegicus (Rat))	BDBM50094191 (17-Aziridin-2-ylmethyl-10,13-dimethyl-2,3,4,7,8,9,...) Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2CC1CN1 |t:7| Show InChI InChI=1S/C22H35NO/c1-21-9-7-17(24)12-15(21)3-5-18-19-6-4-14(11-16-13-23-16)22(19,2)10-8-20(18)21/h3,14,16-20,23-24H,4-13H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	530	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 rat 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))	BDBM50094191 (17-Aziridin-2-ylmethyl-10,13-dimethyl-2,3,4,7,8,9,...) Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2CC1CN1 |t:7| Show InChI InChI=1S/C22H35NO/c1-21-9-7-17(24)12-15(21)3-5-18-19-6-4-14(11-16-13-23-16)22(19,2)10-8-20(18)21/h3,14,16-20,23-24H,4-13H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Inhibition of 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 11A1 (CYP11A1) (Bos taurus (Bovine))	BDBM50094191 (17-Aziridin-2-ylmethyl-10,13-dimethyl-2,3,4,7,8,9,...) Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2CC1CN1 |t:7| Show InChI InChI=1S/C22H35NO/c1-21-9-7-17(24)12-15(21)3-5-18-19-6-4-14(11-16-13-23-16)22(19,2)10-8-20(18)21/h3,14,16-20,23-24H,4-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Inhibition of P450 scc				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))	BDBM50094191 (17-Aziridin-2-ylmethyl-10,13-dimethyl-2,3,4,7,8,9,...) Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2CC1CN1 |t:7| Show InChI InChI=1S/C22H35NO/c1-21-9-7-17(24)12-15(21)3-5-18-19-6-4-14(11-16-13-23-16)22(19,2)10-8-20(18)21/h3,14,16-20,23-24H,4-13H2,1-2H3	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	7.10E+3	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
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50094191 (17-Aziridin-2-ylmethyl-10,13-dimethyl-2,3,4,7,8,9,...) Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2CC1CN1 |t:7| Show InChI InChI=1S/C22H35NO/c1-21-9-7-17(24)12-15(21)3-5-18-19-6-4-14(11-16-13-23-16)22(19,2)10-8-20(18)21/h3,14,16-20,23-24H,4-13H2,1-2H3	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	400	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