BDBM50234003 CHEMBL4085308

SMILES: [H][C@@]12CC[C@]3(C)[C@]([H])(C(=O)C=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]34C)[C@@]1(C)C=C(I)C(=O)[C@]2(C)C(=O)N1CCNCC1

InChI Key: InChIKey=MDILDDIPDNPOOI-HJTWUCFBSA-N

Data: 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 1 hit for monomerid = 50234003   

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 NIMA-interacting 1 (Homo sapiens (Human))	BDBM50234003 (CHEMBL4085308) Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(C(=O)C=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]34C)[C@@]1(C)C=C(I)C(=O)[C@]2(C)C(=O)N1CCNCC1 |r,t:10,32| Show InChI InChI=1S/C34H49IN2O3/c1-20-8-10-30(3)12-13-32(5)22(26(30)21(20)2)18-24(38)27-31(4)19-23(35)28(39)34(7,25(31)9-11-33(27,32)6)29(40)37-16-14-36-15-17-37/h18-21,25-27,36H,8-17H2,1-7H3/t20-,21+,25-,26+,27-,30-,31+,32-,33-,34-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Pin1 (unknown origin) using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as substrate preincubated for 30 mins followed by substrate addition...				Eur J Med Chem 126: 910-919 (2017) BindingDB Entry DOI: 10.7270/Q23T9KGJ
					More data for this Ligand-Target Pair