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)CN2CCO[C@H](COC)C2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C

InChI Key: InChIKey=CLAXKXOJIWFXRR-DVCLRRGASA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 286590   

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))	BDBM286590 (US9566312, Compound 2.17.11 | US9566312, Compound ...) 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)CN2CCO[C@H](COC)C2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C68H122N12O14/c1-26-28-29-43(13)57(81)56-61(85)71-49(27-2)64(88)73(18)47(17)63(87)78(23)55(44(14)35-80-30-31-94-48(36-80)37-93-25)60(84)72-53(41(9)10)67(91)74(19)50(32-38(3)4)59(83)69-45(15)58(82)70-46(16)62(86)75(20)51(33-39(5)6)65(89)76(21)52(34-40(7)8)66(90)77(22)54(42(11)12)68(92)79(56)24/h26,28,38-57,81H,27,29-37H2,1-25H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b28-26+/t43-,44+,45+,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57-/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	1.20	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))	BDBM286590 (US9566312, Compound 2.17.11 | US9566312, Compound ...) 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)CN2CCO[C@H](COC)C2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C68H122N12O14/c1-26-28-29-43(13)57(81)56-61(85)71-49(27-2)64(88)73(18)47(17)63(87)78(23)55(44(14)35-80-30-31-94-48(36-80)37-93-25)60(84)72-53(41(9)10)67(91)74(19)50(32-38(3)4)59(83)69-45(15)58(82)70-46(16)62(86)75(20)51(33-39(5)6)65(89)76(21)52(34-40(7)8)66(90)77(22)54(42(11)12)68(92)79(56)24/h26,28,38-57,81H,27,29-37H2,1-25H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b28-26+/t43-,44+,45+,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57-/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	0.700	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))	BDBM286590 (US9566312, Compound 2.17.11 | US9566312, Compound ...) 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)CN2CCO[C@H](COC)C2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C68H122N12O14/c1-26-28-29-43(13)57(81)56-61(85)71-49(27-2)64(88)73(18)47(17)63(87)78(23)55(44(14)35-80-30-31-94-48(36-80)37-93-25)60(84)72-53(41(9)10)67(91)74(19)50(32-38(3)4)59(83)69-45(15)58(82)70-46(16)62(86)75(20)51(33-39(5)6)65(89)76(21)52(34-40(7)8)66(90)77(22)54(42(11)12)68(92)79(56)24/h26,28,38-57,81H,27,29-37H2,1-25H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b28-26+/t43-,44+,45+,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank 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
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM286590 (US9566312, Compound 2.17.11 | US9566312, Compound ...) 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)CN2CCO[C@H](COC)C2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C68H122N12O14/c1-26-28-29-43(13)57(81)56-61(85)71-49(27-2)64(88)73(18)47(17)63(87)78(23)55(44(14)35-80-30-31-94-48(36-80)37-93-25)60(84)72-53(41(9)10)67(91)74(19)50(32-38(3)4)59(83)69-45(15)58(82)70-46(16)62(86)75(20)51(33-39(5)6)65(89)76(21)52(34-40(7)8)66(90)77(22)54(42(11)12)68(92)79(56)24/h26,28,38-57,81H,27,29-37H2,1-25H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b28-26+/t43-,44+,45+,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57-/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	1.10	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))	BDBM286590 (US9566312, Compound 2.17.11 | US9566312, Compound ...) 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)CN2CCO[C@H](COC)C2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C68H122N12O14/c1-26-28-29-43(13)57(81)56-61(85)71-49(27-2)64(88)73(18)47(17)63(87)78(23)55(44(14)35-80-30-31-94-48(36-80)37-93-25)60(84)72-53(41(9)10)67(91)74(19)50(32-38(3)4)59(83)69-45(15)58(82)70-46(16)62(86)75(20)51(33-39(5)6)65(89)76(21)52(34-40(7)8)66(90)77(22)54(42(11)12)68(92)79(56)24/h26,28,38-57,81H,27,29-37H2,1-25H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b28-26+/t43-,44+,45+,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57-/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	0.700	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))	BDBM286590 (US9566312, Compound 2.17.11 | US9566312, Compound ...) 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)CN2CCO[C@H](COC)C2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C68H122N12O14/c1-26-28-29-43(13)57(81)56-61(85)71-49(27-2)64(88)73(18)47(17)63(87)78(23)55(44(14)35-80-30-31-94-48(36-80)37-93-25)60(84)72-53(41(9)10)67(91)74(19)50(32-38(3)4)59(83)69-45(15)58(82)70-46(16)62(86)75(20)51(33-39(5)6)65(89)76(21)52(34-40(7)8)66(90)77(22)54(42(11)12)68(92)79(56)24/h26,28,38-57,81H,27,29-37H2,1-25H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b28-26+/t43-,44+,45+,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank 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