BDBM286556 US9566312, Compound 2.6.2

SMILES: CC[C@H](NC(=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](NC)[C@H](C)COCC(=O)N1CCN(CC1)C1CCOCC1)C(C)C)C(=O)N(C)[C@H](C)C(C)=O

InChI Key: InChIKey=ZMPLQBJVVMFCOY-WYYJUNONSA-N

Data: 3 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 286556   

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
Cyclophilin A (Homo sapiens (Human))	BDBM286556 (US9566312, Compound 2.6.2) Show SMILES CC[C@H](NC(=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](NC)[C@H](C)COCC(=O)N1CCN(CC1)C1CCOCC1)C(C)C)C(=O)N(C)[C@H](C)C(C)=O |r| Show InChI InChI=1S/C74H133N13O15/c1-26-28-29-48(13)64(90)63(68(94)78-55(27-2)70(96)80(20)52(17)53(18)88)85(25)74(100)62(47(11)12)84(24)72(98)58(40-45(7)8)83(23)71(97)57(39-44(5)6)82(22)69(95)51(16)77-65(91)50(15)76-66(92)56(38-43(3)4)81(21)73(99)60(46(9)10)79-67(93)61(75-19)49(14)41-102-42-59(89)87-34-32-86(33-35-87)54-30-36-101-37-31-54/h26,28,43-52,54-58,60-64,75,90H,27,29-42H2,1-25H3,(H,76,92)(H,77,91)(H,78,94)(H,79,93)/b28-26+/t48-,49-,50+,51-,52-,55+,56+,57+,58+,60+,61+,62+,63+,64-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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))	BDBM286556 (US9566312, Compound 2.6.2) Show SMILES CC[C@H](NC(=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](NC)[C@H](C)COCC(=O)N1CCN(CC1)C1CCOCC1)C(C)C)C(=O)N(C)[C@H](C)C(C)=O |r| Show InChI InChI=1S/C74H133N13O15/c1-26-28-29-48(13)64(90)63(68(94)78-55(27-2)70(96)80(20)52(17)53(18)88)85(25)74(100)62(47(11)12)84(24)72(98)58(40-45(7)8)83(23)71(97)57(39-44(5)6)82(22)69(95)51(16)77-65(91)50(15)76-66(92)56(38-43(3)4)81(21)73(99)60(46(9)10)79-67(93)61(75-19)49(14)41-102-42-59(89)87-34-32-86(33-35-87)54-30-36-101-37-31-54/h26,28,43-52,54-58,60-64,75,90H,27,29-42H2,1-25H3,(H,76,92)(H,77,91)(H,78,94)(H,79,93)/b28-26+/t48-,49-,50+,51-,52-,55+,56+,57+,58+,60+,61+,62+,63+,64-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
Cyclophilin B (CypB) (Homo sapiens (Human))	BDBM286556 (US9566312, Compound 2.6.2) Show SMILES CC[C@H](NC(=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](NC)[C@H](C)COCC(=O)N1CCN(CC1)C1CCOCC1)C(C)C)C(=O)N(C)[C@H](C)C(C)=O |r| Show InChI InChI=1S/C74H133N13O15/c1-26-28-29-48(13)64(90)63(68(94)78-55(27-2)70(96)80(20)52(17)53(18)88)85(25)74(100)62(47(11)12)84(24)72(98)58(40-45(7)8)83(23)71(97)57(39-44(5)6)82(22)69(95)51(16)77-65(91)50(15)76-66(92)56(38-43(3)4)81(21)73(99)60(46(9)10)79-67(93)61(75-19)49(14)41-102-42-59(89)87-34-32-86(33-35-87)54-30-36-101-37-31-54/h26,28,43-52,54-58,60-64,75,90H,27,29-42H2,1-25H3,(H,76,92)(H,77,91)(H,78,94)(H,79,93)/b28-26+/t48-,49-,50+,51-,52-,55+,56+,57+,58+,60+,61+,62+,63+,64-/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