BDBM50233590 3-(2-(1-(4-(3,5-dimethylisoxazol-4-yl)furan-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide::CHEMBL253706

SMILES: CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(co1)-c1c(C)noc1C

InChI Key: InChIKey=HPCHAHFHNCQQJC-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 = 50233590   

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))	BDBM50233590 (3-(2-(1-(4-(3,5-dimethylisoxazol-4-yl)furan-2-yl)p...) Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(co1)-c1c(C)noc1C |w:2.2| Show InChI InChI=1S/C25H26N4O6/c1-6-16(18-10-14(11-34-18)19-12(2)28-35-13(19)3)26-20-21(24(32)23(20)31)27-17-9-7-8-15(22(17)30)25(33)29(4)5/h7-11,16,26-27,30H,6H2,1-5H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	345	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))	BDBM50233590 (3-(2-(1-(4-(3,5-dimethylisoxazol-4-yl)furan-2-yl)p...) Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(co1)-c1c(C)noc1C |w:2.2| Show InChI InChI=1S/C25H26N4O6/c1-6-16(18-10-14(11-34-18)19-12(2)28-35-13(19)3)26-20-21(24(32)23(20)31)27-17-9-7-8-15(22(17)30)25(33)29(4)5/h7-11,16,26-27,30H,6H2,1-5H3	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	7.60	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