BDBM285692 US10077289, Compound 1::[(2S,3R,4R)-3-Hydroxy-4-methyl-2-(methylamino)-5-(1-methyl-1H-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)Cc2nccn2C)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=LWNMJUSNWZCTRX-KAMDKDDASA-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 = 285692   

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))	BDBM285692 (US10077289, Compound 1 | [(2S,3R,4R)-3-Hydroxy-4-m...) Show SMILES CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)Cc2nccn2C)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/C64H113N13O12/c1-26-44-60(85)71(19)43(17)59(84)72(20)46(30-35(4)5)56(81)69-50(38(10)11)63(88)73(21)45(29-34(2)3)55(80)66-41(15)54(79)67-42(16)58(83)74(22)47(31-36(6)7)61(86)75(23)48(32-37(8)9)62(87)76(24)51(39(12)13)64(89)77(25)52(57(82)68-44)53(78)40(14)33-49-65-27-28-70(49)18/h27-28,34-48,50-53,78H,26,29-33H2,1-25H3,(H,66,80)(H,67,79)(H,68,82)(H,69,81)/t40-,41?,42?,43-,44?,45?,46+,47?,48?,50?,51?,52-,53-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15	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))	BDBM285692 (US10077289, Compound 1 | [(2S,3R,4R)-3-Hydroxy-4-m...) Show SMILES CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)Cc2nccn2C)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/C64H113N13O12/c1-26-44-60(85)71(19)43(17)59(84)72(20)46(30-35(4)5)56(81)69-50(38(10)11)63(88)73(21)45(29-34(2)3)55(80)66-41(15)54(79)67-42(16)58(83)74(22)47(31-36(6)7)61(86)75(23)48(32-37(8)9)62(87)76(24)51(39(12)13)64(89)77(25)52(57(82)68-44)53(78)40(14)33-49-65-27-28-70(49)18/h27-28,34-48,50-53,78H,26,29-33H2,1-25H3,(H,66,80)(H,67,79)(H,68,82)(H,69,81)/t40-,41?,42?,43-,44?,45?,46+,47?,48?,50?,51?,52-,53-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	351	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