BDBM50233573 3-(2-(1-(5-(3-chlorophenyl)furan-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide::CHEMBL254516

SMILES: CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(o1)-c1cccc(Cl)c1

InChI Key: InChIKey=GHCHPHCRNIWWIR-UHFFFAOYSA-N

Data: 2 IC50

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 = 50233573   

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
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50233573 (3-(2-(1-(5-(3-chlorophenyl)furan-2-yl)propylamino)...) Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(o1)-c1cccc(Cl)c1 |w:2.2| Show InChI InChI=1S/C26H24ClN3O5/c1-4-17(20-12-11-19(35-20)14-7-5-8-15(27)13-14)28-21-22(25(33)24(21)32)29-18-10-6-9-16(23(18)31)26(34)30(2)3/h5-13,17,28-29,31H,4H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of CXCR1				Bioorg Med Chem Lett 18: 1318-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.024 BindingDB Entry DOI: 10.7270/Q2PV6K33
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50233573 (3-(2-(1-(5-(3-chlorophenyl)furan-2-yl)propylamino)...) Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(o1)-c1cccc(Cl)c1 |w:2.2| Show InChI InChI=1S/C26H24ClN3O5/c1-4-17(20-12-11-19(35-20)14-7-5-8-15(27)13-14)28-21-22(25(33)24(21)32)29-18-10-6-9-16(23(18)31)26(34)30(2)3/h5-13,17,28-29,31H,4H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of CXCR2				Bioorg Med Chem Lett 18: 1318-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.024 BindingDB Entry DOI: 10.7270/Q2PV6K33
					More data for this Ligand-Target Pair