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)CCN2CCN(CCOC)CC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C

InChI Key: InChIKey=PRSMSTPTQBLJFI-VCWNVUDTSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 286599   

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))	BDBM286599 (US9566312, Compound 2.18.3) 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)CCN2CCN(CCOC)CC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C70H127N13O13/c1-26-28-29-47(14)59(84)58-63(88)73-51(27-2)66(91)75(18)50(17)65(90)80(23)57(46(13)30-31-82-32-34-83(35-33-82)36-37-96-25)62(87)74-55(44(9)10)69(94)76(19)52(38-41(3)4)61(86)71-48(15)60(85)72-49(16)64(89)77(20)53(39-42(5)6)67(92)78(21)54(40-43(7)8)68(93)79(22)56(45(11)12)70(95)81(58)24/h26,28,41-59,84H,27,29-40H2,1-25H3,(H,71,86)(H,72,85)(H,73,88)(H,74,87)/b28-26+/t46-,47-,48+,49-,50-,51+,52+,53+,54+,55+,56+,57+,58+,59-/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))	BDBM286599 (US9566312, Compound 2.18.3) 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)CCN2CCN(CCOC)CC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C70H127N13O13/c1-26-28-29-47(14)59(84)58-63(88)73-51(27-2)66(91)75(18)50(17)65(90)80(23)57(46(13)30-31-82-32-34-83(35-33-82)36-37-96-25)62(87)74-55(44(9)10)69(94)76(19)52(38-41(3)4)61(86)71-48(15)60(85)72-49(16)64(89)77(20)53(39-42(5)6)67(92)78(21)54(40-43(7)8)68(93)79(22)56(45(11)12)70(95)81(58)24/h26,28,41-59,84H,27,29-40H2,1-25H3,(H,71,86)(H,72,85)(H,73,88)(H,74,87)/b28-26+/t46-,47-,48+,49-,50-,51+,52+,53+,54+,55+,56+,57+,58+,59-/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))	BDBM286599 (US9566312, Compound 2.18.3) 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)CCN2CCN(CCOC)CC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C70H127N13O13/c1-26-28-29-47(14)59(84)58-63(88)73-51(27-2)66(91)75(18)50(17)65(90)80(23)57(46(13)30-31-82-32-34-83(35-33-82)36-37-96-25)62(87)74-55(44(9)10)69(94)76(19)52(38-41(3)4)61(86)71-48(15)60(85)72-49(16)64(89)77(20)53(39-42(5)6)67(92)78(21)54(40-43(7)8)68(93)79(22)56(45(11)12)70(95)81(58)24/h26,28,41-59,84H,27,29-40H2,1-25H3,(H,71,86)(H,72,85)(H,73,88)(H,74,87)/b28-26+/t46-,47-,48+,49-,50-,51+,52+,53+,54+,55+,56+,57+,58+,59-/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