null

SMILES: CC[C@@H]1NC(=O)C([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](C)CO[C@H]2CCOC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C

InChI Key: InChIKey=VCXFKFGXXMZEFL-OWTIOULESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 286582   

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))	BDBM286582 (US9566312, Compound 2.16) Show SMILES CC[C@@H]1NC(=O)C([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](C)CO[C@H]2CCOC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C66H117N11O14/c1-25-27-28-41(13)55(78)54-59(82)69-47(26-2)62(85)71(18)45(17)61(84)76(23)53(42(14)34-91-46-29-30-90-35-46)58(81)70-51(39(9)10)65(88)72(19)48(31-36(3)4)57(80)67-43(15)56(79)68-44(16)60(83)73(20)49(32-37(5)6)63(86)74(21)50(33-38(7)8)64(87)75(22)52(40(11)12)66(89)77(54)24/h25,27,36-55,78H,26,28-35H2,1-24H3,(H,67,80)(H,68,79)(H,69,82)(H,70,81)/b27-25+/t41-,42-,43+,44-,45-,46+,47+,48+,49+,50+,51+,52+,53+,54?,55-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1	n/a	n/a	n/a	7.4	n/a
Novartis AG US Patent					Assay Description Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro...				US Patent US9566312 (2017) BindingDB Entry DOI: 10.7270/Q2K939J1
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase F, mitochondrial (Homo sapiens (Human))	BDBM286582 (US9566312, Compound 2.16) Show SMILES CC[C@@H]1NC(=O)C([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](C)CO[C@H]2CCOC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C66H117N11O14/c1-25-27-28-41(13)55(78)54-59(82)69-47(26-2)62(85)71(18)45(17)61(84)76(23)53(42(14)34-91-46-29-30-90-35-46)58(81)70-51(39(9)10)65(88)72(19)48(31-36(3)4)57(80)67-43(15)56(79)68-44(16)60(83)73(20)49(32-37(5)6)63(86)74(21)50(33-38(7)8)64(87)75(22)52(40(11)12)66(89)77(54)24/h25,27,36-55,78H,26,28-35H2,1-24H3,(H,67,80)(H,68,79)(H,69,82)(H,70,81)/b27-25+/t41-,42-,43+,44-,45-,46+,47+,48+,49+,50+,51+,52+,53+,54?,55-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.400	n/a	n/a	n/a	7.4	n/a
Novartis AG US Patent					Assay Description Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro...				US Patent US9566312 (2017) BindingDB Entry DOI: 10.7270/Q2K939J1
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase B (Homo sapiens (Human))	BDBM286582 (US9566312, Compound 2.16) Show SMILES CC[C@@H]1NC(=O)C([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](C)CO[C@H]2CCOC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C66H117N11O14/c1-25-27-28-41(13)55(78)54-59(82)69-47(26-2)62(85)71(18)45(17)61(84)76(23)53(42(14)34-91-46-29-30-90-35-46)58(81)70-51(39(9)10)65(88)72(19)48(31-36(3)4)57(80)67-43(15)56(79)68-44(16)60(83)73(20)49(32-37(5)6)63(86)74(21)50(33-38(7)8)64(87)75(22)52(40(11)12)66(89)77(54)24/h25,27,36-55,78H,26,28-35H2,1-24H3,(H,67,80)(H,68,79)(H,69,82)(H,70,81)/b27-25+/t41-,42-,43+,44-,45-,46+,47+,48+,49+,50+,51+,52+,53+,54?,55-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.5	n/a	n/a	n/a	7.4	n/a
Novartis AG US Patent					Assay Description Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro...				US Patent US9566312 (2017) BindingDB Entry DOI: 10.7270/Q2K939J1
					More data for this Ligand-Target Pair