BDBM140002 US8901295, F671

SMILES: Nc1ccc(CNC(=O)NCC(=O)N2CCCC2c2cccc3ccccc23)cc1

InChI Key: InChIKey=MRLPPIJHRIIWJS-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 140002   

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
Cyclophilin D (CypD) (Homo sapiens (Human))	BDBM140002 (US8901295, F671) Show SMILES Nc1ccc(CNC(=O)NCC(=O)N2CCCC2c2cccc3ccccc23)cc1 Show InChI InChI=1S/C24H26N4O2/c25-19-12-10-17(11-13-19)15-26-24(30)27-16-23(29)28-14-4-9-22(28)21-8-3-6-18-5-1-2-7-20(18)21/h1-3,5-8,10-13,22H,4,9,14-16,25H2,(H2,26,27,30)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	7.8	20
Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique US Patent					Assay Description Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...				US Patent US8901295 (2014) BindingDB Entry DOI: 10.7270/Q2R49PGS
					More data for this Ligand-Target Pair
Cyclophilin A (CYPA) (Homo sapiens (Human))	BDBM140002 (US8901295, F671) Show SMILES Nc1ccc(CNC(=O)NCC(=O)N2CCCC2c2cccc3ccccc23)cc1 Show InChI InChI=1S/C24H26N4O2/c25-19-12-10-17(11-13-19)15-26-24(30)27-16-23(29)28-14-4-9-22(28)21-8-3-6-18-5-1-2-7-20(18)21/h1-3,5-8,10-13,22H,4,9,14-16,25H2,(H2,26,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	7.8	20
Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique US Patent					Assay Description Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...				US Patent US8901295 (2014) BindingDB Entry DOI: 10.7270/Q2R49PGS
					More data for this Ligand-Target Pair