BDBM50161407 CHEMBL178447::[(3S,4S)-4-(3,4-Dichloro-benzyl)-3-hydroxymethyl-[1,4'']bipiperidinyl-1''-yl]-quinolin-6-yl-methanone

SMILES: OC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1

InChI Key: InChIKey=BKSRLDUBSLBPQQ-OFNKIYASSA-N

Data: 5 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 5 hits for monomerid = 50161407   

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 3 (Homo sapiens (Human))	BDBM50161407 (CHEMBL178447 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...) Show SMILES OC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C28H31Cl2N3O2/c29-25-5-3-19(15-26(25)30)14-20-7-11-33(17-23(20)18-34)24-8-12-32(13-9-24)28(35)22-4-6-27-21(16-22)2-1-10-31-27/h1-6,10,15-16,20,23-24,34H,7-9,11-14,17-18H2/t20-,23+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line				Bioorg Med Chem Lett 15: 1375-8 (2005) Article DOI: 10.1016/j.bmcl.2005.01.016 BindingDB Entry DOI: 10.7270/Q2B857NS
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50161407 (CHEMBL178447 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...) Show SMILES OC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C28H31Cl2N3O2/c29-25-5-3-19(15-26(25)30)14-20-7-11-33(17-23(20)18-34)24-8-12-32(13-9-24)28(35)22-4-6-27-21(16-22)2-1-10-31-27/h1-6,10,15-16,20,23-24,34H,7-9,11-14,17-18H2/t20-,23+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line				Bioorg Med Chem Lett 15: 1375-8 (2005) Article DOI: 10.1016/j.bmcl.2005.01.016 BindingDB Entry DOI: 10.7270/Q2B857NS
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Macaca mulatta)	BDBM50161407 (CHEMBL178447 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...) Show SMILES OC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C28H31Cl2N3O2/c29-25-5-3-19(15-26(25)30)14-20-7-11-33(17-23(20)18-34)24-8-12-32(13-9-24)28(35)22-4-6-27-21(16-22)2-1-10-31-27/h1-6,10,15-16,20,23-24,34H,7-9,11-14,17-18H2/t20-,23+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against monkey CC chemokine receptor 3				Bioorg Med Chem Lett 15: 1375-8 (2005) Article DOI: 10.1016/j.bmcl.2005.01.016 BindingDB Entry DOI: 10.7270/Q2B857NS
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Mus musculus)	BDBM50161407 (CHEMBL178447 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...) Show SMILES OC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C28H31Cl2N3O2/c29-25-5-3-19(15-26(25)30)14-20-7-11-33(17-23(20)18-34)24-8-12-32(13-9-24)28(35)22-4-6-27-21(16-22)2-1-10-31-27/h1-6,10,15-16,20,23-24,34H,7-9,11-14,17-18H2/t20-,23+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	606	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against mouse CC chemokine receptor 3				Bioorg Med Chem Lett 15: 1375-8 (2005) Article DOI: 10.1016/j.bmcl.2005.01.016 BindingDB Entry DOI: 10.7270/Q2B857NS
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Rattus norvegicus)	BDBM50161407 (CHEMBL178447 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...) Show SMILES OC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C28H31Cl2N3O2/c29-25-5-3-19(15-26(25)30)14-20-7-11-33(17-23(20)18-34)24-8-12-32(13-9-24)28(35)22-4-6-27-21(16-22)2-1-10-31-27/h1-6,10,15-16,20,23-24,34H,7-9,11-14,17-18H2/t20-,23+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against rat CC chemokine receptor 3				Bioorg Med Chem Lett 15: 1375-8 (2005) Article DOI: 10.1016/j.bmcl.2005.01.016 BindingDB Entry DOI: 10.7270/Q2B857NS
					More data for this Ligand-Target Pair