BDBM50388324 CHEMBL2059238

SMILES: COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@@]2(O)CCCC[C@@H]2C)c2cccc(OCC(O)=O)c2)cc1OC

InChI Key: InChIKey=OWTKXGJQTDOPBT-MFRRMFKZSA-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 = 50388324   

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
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50388324 (CHEMBL2059238) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@@]2(O)CCCC[C@@H]2C)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/C34H43NO10/c1-22-9-4-6-17-34(22,41)31(38)32(39)35-18-7-5-12-26(35)33(40)45-27(24-10-8-11-25(20-24)44-21-30(36)37)15-13-23-14-16-28(42-2)29(19-23)43-3/h8,10-11,14,16,19-20,22,26-27,41H,4-7,9,12-13,15,17-18,21H2,1-3H3,(H,36,37)/t22-,26-,27+,34+/m0/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	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP12 by fluorescence polarization assay				J Med Chem 55: 4114-22 (2012) Article DOI: 10.1021/jm201746x BindingDB Entry DOI: 10.7270/Q2KS6SMP
					More data for this Ligand-Target Pair
FK506 binding protein 4 (Homo sapiens (Human))	BDBM50388324 (CHEMBL2059238) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@@]2(O)CCCC[C@@H]2C)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/C34H43NO10/c1-22-9-4-6-17-34(22,41)31(38)32(39)35-18-7-5-12-26(35)33(40)45-27(24-10-8-11-25(20-24)44-21-30(36)37)15-13-23-14-16-28(42-2)29(19-23)43-3/h8,10-11,14,16,19-20,22,26-27,41H,4-7,9,12-13,15,17-18,21H2,1-3H3,(H,36,37)/t22-,26-,27+,34+/m0/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	n/a	n/a	2.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP52 FK1 domain by fluorescence polarization assay				J Med Chem 55: 4114-22 (2012) Article DOI: 10.1021/jm201746x BindingDB Entry DOI: 10.7270/Q2KS6SMP
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human))	BDBM50388324 (CHEMBL2059238) Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@@]2(O)CCCC[C@@H]2C)c2cccc(OCC(O)=O)c2)cc1OC |r| Show InChI InChI=1S/C34H43NO10/c1-22-9-4-6-17-34(22,41)31(38)32(39)35-18-7-5-12-26(35)33(40)45-27(24-10-8-11-25(20-24)44-21-30(36)37)15-13-23-14-16-28(42-2)29(19-23)43-3/h8,10-11,14,16,19-20,22,26-27,41H,4-7,9,12-13,15,17-18,21H2,1-3H3,(H,36,37)/t22-,26-,27+,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Binding affinity to FKBP51 FK1 domain by fluorescence polarization assay				J Med Chem 55: 4114-22 (2012) Article DOI: 10.1021/jm201746x BindingDB Entry DOI: 10.7270/Q2KS6SMP
					More data for this Ligand-Target Pair