null

SMILES: CC[C@@H]1NC(=O)[C@H]([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)CCN2CC(C2)OC)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C

InChI Key: InChIKey=WROVLMDTYWSJDA-JAVLGLKXSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 286601   

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))	BDBM286601 (US9566312, Compound 2.18.5) Show SMILES CC[C@@H]1NC(=O)[C@H]([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)CCN2CC(C2)OC)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C67H120N12O13/c1-26-28-29-43(14)56(80)55-60(84)70-48(27-2)63(87)72(18)46(17)62(86)77(23)54(42(13)30-31-79-35-47(36-79)92-25)59(83)71-52(40(9)10)66(90)73(19)49(32-37(3)4)58(82)68-44(15)57(81)69-45(16)61(85)74(20)50(33-38(5)6)64(88)75(21)51(34-39(7)8)65(89)76(22)53(41(11)12)67(91)78(55)24/h26,28,37-56,80H,27,29-36H2,1-25H3,(H,68,82)(H,69,81)(H,70,84)(H,71,83)/b28-26+/t42-,43-,44+,45-,46-,48+,49+,50+,51+,52+,53+,54+,55+,56-/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	0.900	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))	BDBM286601 (US9566312, Compound 2.18.5) Show SMILES CC[C@@H]1NC(=O)[C@H]([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)CCN2CC(C2)OC)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C67H120N12O13/c1-26-28-29-43(14)56(80)55-60(84)70-48(27-2)63(87)72(18)46(17)62(86)77(23)54(42(13)30-31-79-35-47(36-79)92-25)59(83)71-52(40(9)10)66(90)73(19)49(32-37(3)4)58(82)68-44(15)57(81)69-45(16)61(85)74(20)50(33-38(5)6)64(88)75(21)51(34-39(7)8)65(89)76(22)53(41(11)12)67(91)78(55)24/h26,28,37-56,80H,27,29-36H2,1-25H3,(H,68,82)(H,69,81)(H,70,84)(H,71,83)/b28-26+/t42-,43-,44+,45-,46-,48+,49+,50+,51+,52+,53+,54+,55+,56-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank 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
Peptidyl-prolyl cis-trans isomerase B (Homo sapiens (Human))	BDBM286601 (US9566312, Compound 2.18.5) Show SMILES CC[C@@H]1NC(=O)[C@H]([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)CCN2CC(C2)OC)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C67H120N12O13/c1-26-28-29-43(14)56(80)55-60(84)70-48(27-2)63(87)72(18)46(17)62(86)77(23)54(42(13)30-31-79-35-47(36-79)92-25)59(83)71-52(40(9)10)66(90)73(19)49(32-37(3)4)58(82)68-44(15)57(81)69-45(16)61(85)74(20)50(33-38(5)6)64(88)75(21)51(34-39(7)8)65(89)76(22)53(41(11)12)67(91)78(55)24/h26,28,37-56,80H,27,29-36H2,1-25H3,(H,68,82)(H,69,81)(H,70,84)(H,71,83)/b28-26+/t42-,43-,44+,45-,46-,48+,49+,50+,51+,52+,53+,54+,55+,56-/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	0.600	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