BDBM50538228 CHEMBL4642358

SMILES: OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2ccccc2c1

InChI Key: InChIKey=IHQHCVHDQLNOFY-UHFFFAOYSA-N

Data: 3 KI

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 = 50538228   

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))	BDBM50538228 (CHEMBL4642358) Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2ccccc2c1 Show InChI InChI=1S/C23H16ClNO2/c24-19-9-5-11-21(25-20-10-4-3-8-18(20)23(26)27)22(19)17-13-12-15-6-1-2-7-16(15)14-17/h1-14,25H,(H,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	150	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 FABP4 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))	BDBM50538228 (CHEMBL4642358) Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2ccccc2c1 Show InChI InChI=1S/C23H16ClNO2/c24-19-9-5-11-21(25-20-10-4-3-8-18(20)23(26)27)22(19)17-13-12-15-6-1-2-7-16(15)14-17/h1-14,25H,(H,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	600	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 muscle (Homo sapiens (Human))	BDBM50538228 (CHEMBL4642358) Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2ccccc2c1 Show InChI InChI=1S/C23H16ClNO2/c24-19-9-5-11-21(25-20-10-4-3-8-18(20)23(26)27)22(19)17-13-12-15-6-1-2-7-16(15)14-17/h1-14,25H,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	1.42E+3	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