BDBM50538231 CHEMBL4644810

SMILES: CNc1ccc(Nc2ccccc2C(O)=O)c(c1Cl)-c1ccccc1

InChI Key: InChIKey=RZIPOOPDWJBCHO-UHFFFAOYSA-N

Data: 2 KI  1 Kd

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 3 hits for monomerid = 50538231   

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 muscle (Homo sapiens (Human))	BDBM50538231 (CHEMBL4644810) Show SMILES CNc1ccc(Nc2ccccc2C(O)=O)c(c1Cl)-c1ccccc1 Show InChI InChI=1S/C20H17ClN2O2/c1-22-17-12-11-16(18(19(17)21)13-7-3-2-4-8-13)23-15-10-6-5-9-14(15)20(24)25/h2-12,22-23H,1H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP3 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020)
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5) (Homo sapiens (Human))	BDBM50538231 (CHEMBL4644810) Show SMILES CNc1ccc(Nc2ccccc2C(O)=O)c(c1Cl)-c1ccccc1 Show InChI InChI=1S/C20H17ClN2O2/c1-22-17-12-11-16(18(19(17)21)13-7-3-2-4-8-13)23-15-10-6-5-9-14(15)20(24)25/h2-12,22-23H,1H3,(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP5 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020)
					More data for this Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4) (Homo sapiens (Human))	BDBM50538231 (CHEMBL4644810) Show SMILES CNc1ccc(Nc2ccccc2C(O)=O)c(c1Cl)-c1ccccc1 Show InChI InChI=1S/C20H17ClN2O2/c1-22-17-12-11-16(18(19(17)21)13-7-3-2-4-8-13)23-15-10-6-5-9-14(15)20(24)25/h2-12,22-23H,1H3,(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity at recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 by isothermal titration calorimetry				J Med Chem 63: 4090-4106 (2020)
					More data for this Ligand-Target Pair				3D Structure (crystal)