BDBM285720 US10077289, Compound 28::[(2S,3R,4R)-3-Hydroxy-4-methyl-2-(methylamino)-8-(pyridin-2-yl)-octanoic acid]1 [(R)-methyl-Sar]3 cyclosporin A

SMILES: CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)CCCCc2ccccn2)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](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C

InChI Key: InChIKey=SQDPVIFQVLUHQW-YGFRJVLYSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 285720   

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))	BDBM285720 (US10077289, Compound 28 | [(2S,3R,4R)-3-Hydroxy-4-...) Show SMILES CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)CCCCc2ccccn2)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](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C68H118N12O12/c1-25-49-64(88)74(18)47(17)63(87)75(19)51(35-39(4)5)60(84)73-54(42(10)11)67(91)76(20)50(34-38(2)3)59(83)70-45(15)58(82)71-46(16)62(86)77(21)52(36-40(6)7)65(89)78(22)53(37-41(8)9)66(90)79(23)55(43(12)13)68(92)80(24)56(61(85)72-49)57(81)44(14)30-26-27-31-48-32-28-29-33-69-48/h28-29,32-33,38-47,49-57,81H,25-27,30-31,34-37H2,1-24H3,(H,70,83)(H,71,82)(H,72,85)(H,73,84)/t44-,45?,46?,47-,49?,50?,51+,52?,53?,54?,55?,56-,57-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.90	n/a	n/a	n/a	n/a	n/a	n/a	7.8	n/a
Allergan, Inc. US Patent					Assay Description The protease-free PPIase assay measures the rate of cis to trans conversion of a peptide substrate catalyzed by the enzyme cyclophilin A. Addition of...				US Patent US10077289 (2018) BindingDB Entry DOI: 10.7270/Q25B04JF
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase 2B catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM285720 (US10077289, Compound 28 | [(2S,3R,4R)-3-Hydroxy-4-...) Show SMILES CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)CCCCc2ccccn2)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](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C68H118N12O12/c1-25-49-64(88)74(18)47(17)63(87)75(19)51(35-39(4)5)60(84)73-54(42(10)11)67(91)76(20)50(34-38(2)3)59(83)70-45(15)58(82)71-46(16)62(86)77(21)52(36-40(6)7)65(89)78(22)53(37-41(8)9)66(90)79(23)55(43(12)13)68(92)80(24)56(61(85)72-49)57(81)44(14)30-26-27-31-48-32-28-29-33-69-48/h28-29,32-33,38-47,49-57,81H,25-27,30-31,34-37H2,1-24H3,(H,70,83)(H,71,82)(H,72,85)(H,73,84)/t44-,45?,46?,47-,49?,50?,51+,52?,53?,54?,55?,56-,57-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Allergan, Inc. US Patent					Assay Description Enzo Life Sciences CaN Assay Kit: BML-AK8042x assay buffer: 100 mM Tris, pH7.5, 200 mM NaCl, 12 mM MgCl2, 1 mM DTT, 0.05% NP-40, 1 mM CaCl2				US Patent US10077289 (2018) BindingDB Entry DOI: 10.7270/Q25B04JF
					More data for this Ligand-Target Pair