BDBM285699 US10077289, Compound 7::[(2S,3R,4R)-3-Hydroxy-4-methyl-2-(methylamino) 5-(1-(pyridin-3-yl-ethyl)-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)Cc2nccn2CCc2cccnc2)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=KEIAKVUMZMYHRT-PCGGCDHUSA-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 = 285699   

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))	BDBM285699 (US10077289, Compound 7 | [(2S,3R,4R)-3-Hydroxy-4-m...) Show SMILES CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)Cc2nccn2CCc2cccnc2)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/C70H118N14O12/c1-25-50-66(92)77(18)48(17)65(91)78(19)52(34-40(4)5)62(88)76-56(43(10)11)69(95)79(20)51(33-39(2)3)61(87)73-46(15)60(86)74-47(16)64(90)80(21)53(35-41(6)7)67(93)81(22)54(36-42(8)9)68(94)82(23)57(44(12)13)70(96)83(24)58(63(89)75-50)59(85)45(14)37-55-72-30-32-84(55)31-28-49-27-26-29-71-38-49/h26-27,29-30,32,38-48,50-54,56-59,85H,25,28,31,33-37H2,1-24H3,(H,73,87)(H,74,86)(H,75,89)(H,76,88)/t45-,46?,47?,48-,50?,51?,52+,53?,54?,56?,57?,58-,59-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.60	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))	BDBM285699 (US10077289, Compound 7 | [(2S,3R,4R)-3-Hydroxy-4-m...) Show SMILES CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)Cc2nccn2CCc2cccnc2)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/C70H118N14O12/c1-25-50-66(92)77(18)48(17)65(91)78(19)52(34-40(4)5)62(88)76-56(43(10)11)69(95)79(20)51(33-39(2)3)61(87)73-46(15)60(86)74-47(16)64(90)80(21)53(35-41(6)7)67(93)81(22)54(36-42(8)9)68(94)82(23)57(44(12)13)70(96)83(24)58(63(89)75-50)59(85)45(14)37-55-72-30-32-84(55)31-28-49-27-26-29-71-38-49/h26-27,29-30,32,38-48,50-54,56-59,85H,25,28,31,33-37H2,1-24H3,(H,73,87)(H,74,86)(H,75,89)(H,76,88)/t45-,46?,47?,48-,50?,51?,52+,53?,54?,56?,57?,58-,59-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	428	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