BDBM85115 Cyclophilin Inhibitor, 3a

SMILES: COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)C1C(=O)CC2C1=CC(=O)CC2(C)C

InChI Key: InChIKey=MSVFFFYQYLMJTG-VWRAKTAISA-N

Data: 1 KI  2 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 3 hits for monomerid = 85115   

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))	BDBM85115 (Cyclophilin Inhibitor, 3a) Show SMILES COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,t:27| Show InChI InChI=1S/C26H33NO6/c1-26(2)15-18(28)13-20-21(26)14-22(29)23(20)19(24(30)32-3)11-7-8-12-27-25(31)33-16-17-9-5-4-6-10-17/h4-6,9-10,13,19,21,23H,7-8,11-12,14-16H2,1-3H3,(H,27,31)/t19-,21?,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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))	BDBM85115 (Cyclophilin Inhibitor, 3a) Show SMILES COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,t:27| Show InChI InChI=1S/C26H33NO6/c1-26(2)15-18(28)13-20-21(26)14-22(29)23(20)19(24(30)32-3)11-7-8-12-27-25(31)33-16-17-9-5-4-6-10-17/h4-6,9-10,13,19,21,23H,7-8,11-12,14-16H2,1-3H3,(H,27,31)/t19-,21?,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.28E+5	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))	BDBM85115 (Cyclophilin Inhibitor, 3a) Show SMILES COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)C1C(=O)CC2C1=CC(=O)CC2(C)C |r,t:27| Show InChI InChI=1S/C26H33NO6/c1-26(2)15-18(28)13-20-21(26)14-22(29)23(20)19(24(30)32-3)11-7-8-12-27-25(31)33-16-17-9-5-4-6-10-17/h4-6,9-10,13,19,21,23H,7-8,11-12,14-16H2,1-3H3,(H,27,31)/t19-,21?,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.28E+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