BDBM85116 Cyclophilin Inhibitor, 15::Cyclophilin Inhibitor, 3b

SMILES: COC(=O)[C@H](CCCCN)C1C(=O)CC2C1=CC(=O)CC2(C)C

InChI Key: InChIKey=WKKXIOMJVCSFTK-XEBKBJJBSA-N

Data: 2 KI  3 Kd

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 5 hits for monomerid = 85116   

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 A (Homo sapiens (Human))	BDBM85116 (Cyclophilin Inhibitor, 15 | Cyclophilin Inhibitor,...) Show SMILES COC(=O)[C@H](CCCCN)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,t:16| Show InChI InChI=1S/C18H27NO4/c1-18(2)10-11(20)8-13-14(18)9-15(21)16(13)12(17(22)23-3)6-4-5-7-19/h8,12,14,16H,4-7,9-10,19H2,1-3H3/t12-,14?,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description The promising ligand from the results obtained from ESI-MS assay are subjected to PPIase in vitro assay. The PPIase assay assesses the abil9ity of l...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM85116 (Cyclophilin Inhibitor, 15 | Cyclophilin Inhibitor,...) Show SMILES COC(=O)[C@H](CCCCN)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,t:16| Show InChI InChI=1S/C18H27NO4/c1-18(2)10-11(20)8-13-14(18)9-15(21)16(13)12(17(22)23-3)6-4-5-7-19/h8,12,14,16H,4-7,9-10,19H2,1-3H3/t12-,14?,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description The promising ligand from the results obtained from ESI-MS assay are subjected to PPIase in vitro assay. The PPIase assay assesses the abil9ity of l...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM85116 (Cyclophilin Inhibitor, 15 | Cyclophilin Inhibitor,...) Show SMILES COC(=O)[C@H](CCCCN)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,t:16| Show InChI InChI=1S/C18H27NO4/c1-18(2)10-11(20)8-13-14(18)9-15(21)16(13)12(17(22)23-3)6-4-5-7-19/h8,12,14,16H,4-7,9-10,19H2,1-3H3/t12-,14?,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.59E+4	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description The promising ligand from the results obtained from ESI-MS assay are subjected to fluorescence in vitro assay. The fluorescence assay takes advantag...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM85116 (Cyclophilin Inhibitor, 15 | Cyclophilin Inhibitor,...) Show SMILES COC(=O)[C@H](CCCCN)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,t:16| Show InChI InChI=1S/C18H27NO4/c1-18(2)10-11(20)8-13-14(18)9-15(21)16(13)12(17(22)23-3)6-4-5-7-19/h8,12,14,16H,4-7,9-10,19H2,1-3H3/t12-,14?,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.26E+4	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description Electrospray mass spectrometry assay is a immunophilin-ligand binding assay which allows us to rapidly probe the affinity of potential inhibitors for...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM85116 (Cyclophilin Inhibitor, 15 | Cyclophilin Inhibitor,...) Show SMILES COC(=O)[C@H](CCCCN)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,t:16| Show InChI InChI=1S/C18H27NO4/c1-18(2)10-11(20)8-13-14(18)9-15(21)16(13)12(17(22)23-3)6-4-5-7-19/h8,12,14,16H,4-7,9-10,19H2,1-3H3/t12-,14?,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a
The University of Edinburgh					Assay Description The promising ligand from the results obtained from ESI-MS assay are subjected to fluorescence in vitro assay. The fluorescence assay takes advantag...				Chembiochem 12: 802-10 (2011) Article DOI: 10.1002/cbic.201000413 BindingDB Entry DOI: 10.7270/Q28K77MK
					More data for this Ligand-Target Pair