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

InChI Key: InChIKey=CCCCYLNVKUYLLK-YJYPUCAISA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 286608   

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))	BDBM286608 (US9566312, Compound 2.19.4) 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(CC)CC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C70H127N13O12/c1-26-29-31-47(15)59(84)58-63(88)73-51(27-2)66(91)75(19)50(18)65(90)80(24)57(46(14)32-30-33-83-36-34-82(28-3)35-37-83)62(87)74-55(44(10)11)69(94)76(20)52(38-41(4)5)61(86)71-48(16)60(85)72-49(17)64(89)77(21)53(39-42(6)7)67(92)78(22)54(40-43(8)9)68(93)79(23)56(45(12)13)70(95)81(58)25/h26,29,41-59,84H,27-28,30-40H2,1-25H3,(H,71,86)(H,72,85)(H,73,88)(H,74,87)/b29-26+/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
Peptidyl-prolyl cis-trans isomerase F, mitochondrial (Homo sapiens (Human))	BDBM286608 (US9566312, Compound 2.19.4) 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(CC)CC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C70H127N13O12/c1-26-29-31-47(15)59(84)58-63(88)73-51(27-2)66(91)75(19)50(18)65(90)80(24)57(46(14)32-30-33-83-36-34-82(28-3)35-37-83)62(87)74-55(44(10)11)69(94)76(20)52(38-41(4)5)61(86)71-48(16)60(85)72-49(17)64(89)77(21)53(39-42(6)7)67(92)78(22)54(40-43(8)9)68(93)79(23)56(45(12)13)70(95)81(58)25/h26,29,41-59,84H,27-28,30-40H2,1-25H3,(H,71,86)(H,72,85)(H,73,88)(H,74,87)/b29-26+/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	0.400	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))	BDBM286608 (US9566312, Compound 2.19.4) 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(CC)CC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C70H127N13O12/c1-26-29-31-47(15)59(84)58-63(88)73-51(27-2)66(91)75(19)50(18)65(90)80(24)57(46(14)32-30-33-83-36-34-82(28-3)35-37-83)62(87)74-55(44(10)11)69(94)76(20)52(38-41(4)5)61(86)71-48(16)60(85)72-49(17)64(89)77(21)53(39-42(6)7)67(92)78(22)54(40-43(8)9)68(93)79(23)56(45(12)13)70(95)81(58)25/h26,29,41-59,84H,27-28,30-40H2,1-25H3,(H,71,86)(H,72,85)(H,73,88)(H,74,87)/b29-26+/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	0.400	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