BDBM50095917 CHEMBL3590353

SMILES: [H][C@@]12CCCN1C(=O)c1cc3cc(c1)C(=O)NC[C@]([H])(NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc4ccccc4c1)NC(=O)[C@@]1([H])CCCCN1C(=O)[C@@H](CC(O)=O)NC(=O)CN(C)C2=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CNC3=O)C(=O)N[C@@H](CCCCN)C(O)=O

InChI Key: InChIKey=GEERMPLJABIPET-LKKKIQRRSA-N

Data: 1 Kd

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 = 50095917   

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))	BDBM50095917 (CHEMBL3590353) Show SMILES [H][C@@]12CCCN1C(=O)c1cc3cc(c1)C(=O)NC[C@]([H])(NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc4ccccc4c1)NC(=O)[C@@]1([H])CCCCN1C(=O)[C@@H](CC(O)=O)NC(=O)CN(C)C2=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CNC3=O)C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C17H17N7O4S/c1-2-19-16(27)13-11(25)12(26)17(28-13)24-7-21-10-14(18)22-8(23-15(10)24)3-4-9-20-5-6-29-9/h5-7,11-13,17,25-26H,2H2,1H3,(H,19,27)(H2,18,22,23)/t11-,12+,13+,17?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Binding affinity to N-terminal MBP fused and Texas-red-labeled full-length human Pin1 S16A/Y23A mutant expressed in Escherichia coli assessed as incr...				J Med Chem 58: 6306-12 (2015) Article DOI: 10.1021/acs.jmedchem.5b00411 BindingDB Entry DOI: 10.7270/Q2T72K6Z
					More data for this Ligand-Target Pair