BDBM50233564 3-(2-(1-(3-chlorothiophen-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide::CHEMBL253504

SMILES: CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1sccc1Cl

InChI Key: InChIKey=SRJYNJAMTKSQHM-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 = 50233564   

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))	BDBM50233564 (3-(2-(1-(3-chlorothiophen-2-yl)propylamino)-3,4-di...) Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1sccc1Cl |w:2.2| Show InChI InChI=1S/C20H20ClN3O4S/c1-4-12(19-11(21)8-9-29-19)22-14-15(18(27)17(14)26)23-13-7-5-6-10(16(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+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))	BDBM50233564 (3-(2-(1-(3-chlorothiophen-2-yl)propylamino)-3,4-di...) Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1sccc1Cl |w:2.2| Show InChI InChI=1S/C20H20ClN3O4S/c1-4-12(19-11(21)8-9-29-19)22-14-15(18(27)17(14)26)23-13-7-5-6-10(16(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	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