BDBM286557 US9566312, Compound 2.6.3

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(C)CC1)C(C)C)C(=O)N(C)[C@H](C)C(C)=O

InChI Key: InChIKey=NZMJWNAGUNOQAX-ZGJFSDCUSA-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 = 286557   

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))	BDBM286557 (US9566312, Compound 2.6.3) 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(C)CC1)C(C)C)C(=O)N(C)[C@H](C)C(C)=O |r| Show InChI InChI=1S/C70H127N13O14/c1-27-29-30-45(13)60(86)59(64(90)74-51(28-2)66(92)77(21)49(17)50(18)84)82(26)70(96)58(44(11)12)81(25)68(94)54(37-42(7)8)80(24)67(93)53(36-41(5)6)79(23)65(91)48(16)73-61(87)47(15)72-62(88)52(35-40(3)4)78(22)69(95)56(43(9)10)75-63(89)57(71-19)46(14)38-97-39-55(85)83-33-31-76(20)32-34-83/h27,29,40-49,51-54,56-60,71,86H,28,30-39H2,1-26H3,(H,72,88)(H,73,87)(H,74,90)(H,75,89)/b29-27+/t45-,46-,47+,48-,49-,51+,52+,53+,54+,56+,57+,58+,59+,60-/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	1.5	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 F, mitochondrial (Homo sapiens (Human))	BDBM286557 (US9566312, Compound 2.6.3) 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(C)CC1)C(C)C)C(=O)N(C)[C@H](C)C(C)=O |r| Show InChI InChI=1S/C70H127N13O14/c1-27-29-30-45(13)60(86)59(64(90)74-51(28-2)66(92)77(21)49(17)50(18)84)82(26)70(96)58(44(11)12)81(25)68(94)54(37-42(7)8)80(24)67(93)53(36-41(5)6)79(23)65(91)48(16)73-61(87)47(15)72-62(88)52(35-40(3)4)78(22)69(95)56(43(9)10)75-63(89)57(71-19)46(14)38-97-39-55(85)83-33-31-76(20)32-34-83/h27,29,40-49,51-54,56-60,71,86H,28,30-39H2,1-26H3,(H,72,88)(H,73,87)(H,74,90)(H,75,89)/b29-27+/t45-,46-,47+,48-,49-,51+,52+,53+,54+,56+,57+,58+,59+,60-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.5	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
Cyclophilin B (CypB) (Homo sapiens (Human))	BDBM286557 (US9566312, Compound 2.6.3) 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(C)CC1)C(C)C)C(=O)N(C)[C@H](C)C(C)=O |r| Show InChI InChI=1S/C70H127N13O14/c1-27-29-30-45(13)60(86)59(64(90)74-51(28-2)66(92)77(21)49(17)50(18)84)82(26)70(96)58(44(11)12)81(25)68(94)54(37-42(7)8)80(24)67(93)53(36-41(5)6)79(23)65(91)48(16)73-61(87)47(15)72-62(88)52(35-40(3)4)78(22)69(95)56(43(9)10)75-63(89)57(71-19)46(14)38-97-39-55(85)83-33-31-76(20)32-34-83/h27,29,40-49,51-54,56-60,71,86H,28,30-39H2,1-26H3,(H,72,88)(H,73,87)(H,74,90)(H,75,89)/b29-27+/t45-,46-,47+,48-,49-,51+,52+,53+,54+,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	0.800	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