BDBM50177675 CHEMBL3814634

SMILES: CC(C)Oc1cccc(c1)-c1c(-c2c(C)n[nH]c2C)c2cc(ccc2n1CCC(O)=O)C1CC1

InChI Key: InChIKey=YBEJGNSQZJLYDL-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 = 50177675   

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))	BDBM50177675 (CHEMBL3814634) Show SMILES CC(C)Oc1cccc(c1)-c1c(-c2c(C)n[nH]c2C)c2cc(ccc2n1CCC(O)=O)C1CC1 |(9.68,3.39,;8.99,2.37,;9.53,1.26,;7.45,2.48,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,;4.2,.03,;5.05,1.3,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.66,-3.26,;4.7,-2.6,;3.55,-4.79,;2.05,-5.16,;1.24,-3.85,;.01,-3.75,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.24,2.7,;3.75,3.01,;4.23,4.48,;3.41,5.4,;5.43,4.73,;-3.71,-1.53,;-4.4,-2.82,;-5.17,-1.49,)| Show InChI InChI=1S/C28H31N3O3/c1-16(2)34-22-7-5-6-21(14-22)28-27(26-17(3)29-30-18(26)4)23-15-20(19-8-9-19)10-11-24(23)31(28)13-12-25(32)33/h5-7,10-11,14-16,19H,8-9,12-13H2,1-4H3,(H,29,30)(H,32,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	30	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)