BDBM50198429 (S)-(4-(4-(2,4-dichlorobenzylamino)pyrido[2,3-d]pyrimidin-2-yl)piperazin-1-yl)(piperidin-2-yl)methanone::CHEMBL233046

SMILES: Clc1ccc(CNc2nc(nc3ncccc23)N2CCN(CC2)C(=O)[C@@H]2CCCCN2)c(Cl)c1

InChI Key: InChIKey=GDQQUDANFRCFMF-FQEVSTJZSA-N

Data: 4 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 4 hits for monomerid = 50198429   

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-C chemokine receptor type 4 (CCR4) (Homo sapiens (Human))	BDBM50198429 ((S)-(4-(4-(2,4-dichlorobenzylamino)pyrido[2,3-d]py...) Show SMILES Clc1ccc(CNc2nc(nc3ncccc23)N2CCN(CC2)C(=O)[C@@H]2CCCCN2)c(Cl)c1 Show InChI InChI=1S/C24H27Cl2N7O/c25-17-7-6-16(19(26)14-17)15-29-22-18-4-3-9-28-21(18)30-24(31-22)33-12-10-32(11-13-33)23(34)20-5-1-2-8-27-20/h3-4,6-7,9,14,20,27H,1-2,5,8,10-13,15H2,(H,28,29,30,31)/t20-/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of MDC-induced chemotaxis in L1.2 cells expressing CCR4				Bioorg Med Chem Lett 17: 679-82 (2007) Article DOI: 10.1016/j.bmcl.2006.10.091 BindingDB Entry DOI: 10.7270/Q24B310V
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4) (Homo sapiens (Human))	BDBM50198429 ((S)-(4-(4-(2,4-dichlorobenzylamino)pyrido[2,3-d]py...) Show SMILES Clc1ccc(CNc2nc(nc3ncccc23)N2CCN(CC2)C(=O)[C@@H]2CCCCN2)c(Cl)c1 Show InChI InChI=1S/C24H27Cl2N7O/c25-17-7-6-16(19(26)14-17)15-29-22-18-4-3-9-28-21(18)30-24(31-22)33-12-10-32(11-13-33)23(34)20-5-1-2-8-27-20/h3-4,6-7,9,14,20,27H,1-2,5,8,10-13,15H2,(H,28,29,30,31)/t20-/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]MDC from human CCR4 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 679-82 (2007) Article DOI: 10.1016/j.bmcl.2006.10.091 BindingDB Entry DOI: 10.7270/Q24B310V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50198429 ((S)-(4-(4-(2,4-dichlorobenzylamino)pyrido[2,3-d]py...) Show SMILES Clc1ccc(CNc2nc(nc3ncccc23)N2CCN(CC2)C(=O)[C@@H]2CCCCN2)c(Cl)c1 Show InChI InChI=1S/C24H27Cl2N7O/c25-17-7-6-16(19(26)14-17)15-29-22-18-4-3-9-28-21(18)30-24(31-22)33-12-10-32(11-13-33)23(34)20-5-1-2-8-27-20/h3-4,6-7,9,14,20,27H,1-2,5,8,10-13,15H2,(H,28,29,30,31)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of hERG				Bioorg Med Chem Lett 17: 679-82 (2007) Article DOI: 10.1016/j.bmcl.2006.10.091 BindingDB Entry DOI: 10.7270/Q24B310V
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4) (Homo sapiens (Human))	BDBM50198429 ((S)-(4-(4-(2,4-dichlorobenzylamino)pyrido[2,3-d]py...) Show SMILES Clc1ccc(CNc2nc(nc3ncccc23)N2CCN(CC2)C(=O)[C@@H]2CCCCN2)c(Cl)c1 Show InChI InChI=1S/C24H27Cl2N7O/c25-17-7-6-16(19(26)14-17)15-29-22-18-4-3-9-28-21(18)30-24(31-22)33-12-10-32(11-13-33)23(34)20-5-1-2-8-27-20/h3-4,6-7,9,14,20,27H,1-2,5,8,10-13,15H2,(H,28,29,30,31)/t20-/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human CCR4 expressed in CEMS529 cells assessed as effect on calcium mobilization				Bioorg Med Chem Lett 17: 679-82 (2007) Article DOI: 10.1016/j.bmcl.2006.10.091 BindingDB Entry DOI: 10.7270/Q24B310V
					More data for this Ligand-Target Pair