BDBM285700 US10077289, Compound 8::[(2S,3R,4R)-3-Hydroxy-4-methyl-2-(methylamino)-5-[3-(3,3,3-trifluoro-propyl)-3H-imidazol-2-yl]-pentanoic acid]1 [(R)-methyl-Sar]3 cyclosporin A

SMILES: CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)Cc2nccn2CCC(F)(F)F)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=LSOSOTOPELCGMP-UXSNGQPXSA-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 = 285700   

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))	BDBM285700 (US10077289, Compound 8 | [(2S,3R,4R)-3-Hydroxy-4-m...) Show SMILES CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)Cc2nccn2CCC(F)(F)F)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/C66H114F3N13O12/c1-25-45-61(90)75(18)44(17)60(89)76(19)47(31-36(4)5)57(86)74-51(39(10)11)64(93)77(20)46(30-35(2)3)56(85)71-42(15)55(84)72-43(16)59(88)78(21)48(32-37(6)7)62(91)79(22)49(33-38(8)9)63(92)80(23)52(40(12)13)65(94)81(24)53(58(87)73-45)54(83)41(14)34-50-70-27-29-82(50)28-26-66(67,68)69/h27,29,35-49,51-54,83H,25-26,28,30-34H2,1-24H3,(H,71,85)(H,72,84)(H,73,87)(H,74,86)/t41-,42?,43?,44-,45?,46?,47+,48?,49?,51?,52?,53-,54-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.40	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))	BDBM285700 (US10077289, Compound 8 | [(2S,3R,4R)-3-Hydroxy-4-m...) Show SMILES CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)Cc2nccn2CCC(F)(F)F)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/C66H114F3N13O12/c1-25-45-61(90)75(18)44(17)60(89)76(19)47(31-36(4)5)57(86)74-51(39(10)11)64(93)77(20)46(30-35(2)3)56(85)71-42(15)55(84)72-43(16)59(88)78(21)48(32-37(6)7)62(91)79(22)49(33-38(8)9)63(92)80(23)52(40(12)13)65(94)81(24)53(58(87)73-45)54(83)41(14)34-50-70-27-29-82(50)28-26-66(67,68)69/h27,29,35-49,51-54,83H,25-26,28,30-34H2,1-24H3,(H,71,85)(H,72,84)(H,73,87)(H,74,86)/t41-,42?,43?,44-,45?,46?,47+,48?,49?,51?,52?,53-,54-/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