BDBM50052668 Adamantane-1-carboxylic acid (S)-1-pyridin-4-yl-ethyl ester::CHEMBL110524

SMILES: C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1

InChI Key: InChIKey=UUOZAEVZNHYAIZ-IHWZXDPASA-N

Data: 3 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 3 hits for monomerid = 50052668   

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))	BDBM50052668 (Adamantane-1-carboxylic acid (S)-1-pyridin-4-yl-et...) Show SMILES C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1 |TLB:12:7:14:13.11.10,12:11:14:6.7.8,THB:10:11:6:14.9.8,10:9:6:13.11.12| Show InChI InChI=1S/C18H23NO2/c1-12(16-2-4-19-5-3-16)21-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,12-15H,6-11H2,1H3/t12-,13?,14?,15?,18?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Campaign Centre for Cancer Therapeutics Curated by ChEMBL					Assay Description Inhibition of 17-alpha-hydroxylase enzyme, cytochrome P450 17A1 of human testicular microsomes				J Med Chem 39: 3319-23 (1996) Article DOI: 10.1021/jm950749y BindingDB Entry DOI: 10.7270/Q2KK99V3
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50052668 (Adamantane-1-carboxylic acid (S)-1-pyridin-4-yl-et...) Show SMILES C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1 |TLB:12:7:14:13.11.10,12:11:14:6.7.8,THB:10:11:6:14.9.8,10:9:6:13.11.12| Show InChI InChI=1S/C18H23NO2/c1-12(16-2-4-19-5-3-16)21-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,12-15H,6-11H2,1H3/t12-,13?,14?,15?,18?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Campaign Centre for Cancer Therapeutics Curated by ChEMBL					Assay Description Inhibition of Cytochrome P450 19A1 in Human placental microsomes				J Med Chem 39: 3319-23 (1996) Article DOI: 10.1021/jm950749y BindingDB Entry DOI: 10.7270/Q2KK99V3
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50052668 (Adamantane-1-carboxylic acid (S)-1-pyridin-4-yl-et...) Show SMILES C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1 |TLB:12:7:14:13.11.10,12:11:14:6.7.8,THB:10:11:6:14.9.8,10:9:6:13.11.12| Show InChI InChI=1S/C18H23NO2/c1-12(16-2-4-19-5-3-16)21-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,12-15H,6-11H2,1H3/t12-,13?,14?,15?,18?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Campaign Centre for Cancer Therapeutics Curated by ChEMBL					Assay Description Inhibition of C17,20-lyase enzyme, cytochrome P450 17A1 in Human testicular microsomes				J Med Chem 39: 3319-23 (1996) Article DOI: 10.1021/jm950749y BindingDB Entry DOI: 10.7270/Q2KK99V3
					More data for this Ligand-Target Pair