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)COCCN2CCN3[C@H](COC3=O)C2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C

InChI Key: InChIKey=XUCCJRJPMGSQJC-JABYVDAGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 286572   

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))	BDBM286572 (US9566312, Compound 2.8.11) 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)COCCN2CCN3[C@H](COC3=O)C2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C70H123N13O15/c1-25-27-28-44(13)58(84)57-62(88)73-50(26-2)65(91)75(18)48(17)64(90)80(23)56(45(14)37-97-32-31-82-29-30-83-49(36-82)38-98-70(83)96)61(87)74-54(42(9)10)68(94)76(19)51(33-39(3)4)60(86)71-46(15)59(85)72-47(16)63(89)77(20)52(34-40(5)6)66(92)78(21)53(35-41(7)8)67(93)79(22)55(43(11)12)69(95)81(57)24/h25,27,39-58,84H,26,28-38H2,1-24H3,(H,71,86)(H,72,85)(H,73,88)(H,74,87)/b27-25+/t44-,45-,46+,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58-/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	1.30	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))	BDBM286572 (US9566312, Compound 2.8.11) 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)COCCN2CCN3[C@H](COC3=O)C2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C70H123N13O15/c1-25-27-28-44(13)58(84)57-62(88)73-50(26-2)65(91)75(18)48(17)64(90)80(23)56(45(14)37-97-32-31-82-29-30-83-49(36-82)38-98-70(83)96)61(87)74-54(42(9)10)68(94)76(19)51(33-39(3)4)60(86)71-46(15)59(85)72-47(16)63(89)77(20)52(34-40(5)6)66(92)78(21)53(35-41(7)8)67(93)79(22)55(43(11)12)69(95)81(57)24/h25,27,39-58,84H,26,28-38H2,1-24H3,(H,71,86)(H,72,85)(H,73,88)(H,74,87)/b27-25+/t44-,45-,46+,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58-/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))	BDBM286572 (US9566312, Compound 2.8.11) 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)COCCN2CCN3[C@H](COC3=O)C2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C70H123N13O15/c1-25-27-28-44(13)58(84)57-62(88)73-50(26-2)65(91)75(18)48(17)64(90)80(23)56(45(14)37-97-32-31-82-29-30-83-49(36-82)38-98-70(83)96)61(87)74-54(42(9)10)68(94)76(19)51(33-39(3)4)60(86)71-46(15)59(85)72-47(16)63(89)77(20)52(34-40(5)6)66(92)78(21)53(35-41(7)8)67(93)79(22)55(43(11)12)69(95)81(57)24/h25,27,39-58,84H,26,28-38H2,1-24H3,(H,71,86)(H,72,85)(H,73,88)(H,74,87)/b27-25+/t44-,45-,46+,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58-/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