BDBM50177673 CHEMBL3814575

SMILES: OC(=O)CCn1c(c(-c2ccccc2)c2cc(ccc12)C1CC1)-c1ccccc1

InChI Key: InChIKey=VTCPSZSCIMRYND-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50177673   

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
Fatty acid-binding protein 4 (FABP4) (Homo sapiens (Human))	BDBM50177673 (CHEMBL3814575) Show SMILES OC(=O)CCn1c(c(-c2ccccc2)c2cc(ccc12)C1CC1)-c1ccccc1 Show InChI InChI=1S/C26H23NO2/c28-24(29)15-16-27-23-14-13-21(18-11-12-18)17-22(23)25(19-7-3-1-4-8-19)26(27)20-9-5-2-6-10-20/h1-10,13-14,17-18H,11-12,15-16H2,(H,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ajinomoto Co., Inc. Curated by ChEMBL					Assay Description Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assay				ACS Med Chem Lett 7: 435-9 (2016) BindingDB Entry DOI: 10.7270/Q2RX9F0J
					More data for this Ligand-Target Pair				3D Structure (crystal)