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)CCCN2CCN(CCOC)CC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C

InChI Key: InChIKey=GPRXZCBBINHWAU-RKYKWREASA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 286610   

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))	BDBM286610 (US9566312, Compound 2.19.6) 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)CCCN2CCN(CCOC)CC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C71H129N13O13/c1-26-28-30-48(14)60(85)59-64(89)74-52(27-2)67(92)76(18)51(17)66(91)81(23)58(47(13)31-29-32-83-33-35-84(36-34-83)37-38-97-25)63(88)75-56(45(9)10)70(95)77(19)53(39-42(3)4)62(87)72-49(15)61(86)73-50(16)65(90)78(20)54(40-43(5)6)68(93)79(21)55(41-44(7)8)69(94)80(22)57(46(11)12)71(96)82(59)24/h26,28,42-60,85H,27,29-41H2,1-25H3,(H,72,87)(H,73,86)(H,74,89)(H,75,88)/b28-26+/t47-,48-,49+,50-,51-,52+,53+,54+,55+,56+,57+,58+,59+,60-/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))	BDBM286610 (US9566312, Compound 2.19.6) 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)CCCN2CCN(CCOC)CC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C71H129N13O13/c1-26-28-30-48(14)60(85)59-64(89)74-52(27-2)67(92)76(18)51(17)66(91)81(23)58(47(13)31-29-32-83-33-35-84(36-34-83)37-38-97-25)63(88)75-56(45(9)10)70(95)77(19)53(39-42(3)4)62(87)72-49(15)61(86)73-50(16)65(90)78(20)54(40-43(5)6)68(93)79(21)55(41-44(7)8)69(94)80(22)57(46(11)12)71(96)82(59)24/h26,28,42-60,85H,27,29-41H2,1-25H3,(H,72,87)(H,73,86)(H,74,89)(H,75,88)/b28-26+/t47-,48-,49+,50-,51-,52+,53+,54+,55+,56+,57+,58+,59+,60-/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))	BDBM286610 (US9566312, Compound 2.19.6) 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)CCCN2CCN(CCOC)CC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C71H129N13O13/c1-26-28-30-48(14)60(85)59-64(89)74-52(27-2)67(92)76(18)51(17)66(91)81(23)58(47(13)31-29-32-83-33-35-84(36-34-83)37-38-97-25)63(88)75-56(45(9)10)70(95)77(19)53(39-42(3)4)62(87)72-49(15)61(86)73-50(16)65(90)78(20)54(40-43(5)6)68(93)79(21)55(41-44(7)8)69(94)80(22)57(46(11)12)71(96)82(59)24/h26,28,42-60,85H,27,29-41H2,1-25H3,(H,72,87)(H,73,86)(H,74,89)(H,75,88)/b28-26+/t47-,48-,49+,50-,51-,52+,53+,54+,55+,56+,57+,58+,59+,60-/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