BDBM50441710 CHEMBL2435866

SMILES: CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2ccc(cc2)C(O)=O)C1=O)c1ccccc1

InChI Key: InChIKey=KDKOAYRCXAQUFY-IZCXSWDTSA-N

Data: 3 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 3 hits for monomerid = 50441710   

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 5 (Homo sapiens (Human))	BDBM50441710 (CHEMBL2435866) Show SMILES CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2ccc(cc2)C(O)=O)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C34H40ClN5O4/c1-22-19-30(35)37-24(3)31(22)32(41)36-16-13-23(2)38-17-14-28(15-18-38)40-29(26-7-5-4-6-8-26)21-39(34(40)44)20-25-9-11-27(12-10-25)33(42)43/h4-12,19,23,28-29H,13-18,20-21H2,1-3H3,(H,36,41)(H,42,43)/t23?,29-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Antagonist activity at CCR5 (unknown origin) expressed in HEK293F cell membranes assessed as inhibition of RANTES-induced calcium flux preincubated f...				J Med Chem 56: 8049-65 (2013) Article DOI: 10.1021/jm401101p BindingDB Entry DOI: 10.7270/Q2445NX3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50441710 (CHEMBL2435866) Show SMILES CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2ccc(cc2)C(O)=O)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C34H40ClN5O4/c1-22-19-30(35)37-24(3)31(22)32(41)36-16-13-23(2)38-17-14-28(15-18-38)40-29(26-7-5-4-6-8-26)21-39(34(40)44)20-25-9-11-27(12-10-25)33(42)43/h4-12,19,23,28-29H,13-18,20-21H2,1-3H3,(H,36,41)(H,42,43)/t23?,29-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Displacement of [125I]-RANTES from CCR5 (unknown origin) expressed in HEK293F cell membranes after 45 mins by microbeta jet liquid scintillation coun...				J Med Chem 56: 8049-65 (2013) Article DOI: 10.1021/jm401101p BindingDB Entry DOI: 10.7270/Q2445NX3
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50441710 (CHEMBL2435866) Show SMILES CC(CCNC(=O)c1c(C)cc(Cl)nc1C)N1CCC(CC1)N1[C@@H](CN(Cc2ccc(cc2)C(O)=O)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C34H40ClN5O4/c1-22-19-30(35)37-24(3)31(22)32(41)36-16-13-23(2)38-17-14-28(15-18-38)40-29(26-7-5-4-6-8-26)21-39(34(40)44)20-25-9-11-27(12-10-25)33(42)43/h4-12,19,23,28-29H,13-18,20-21H2,1-3H3,(H,36,41)(H,42,43)/t23?,29-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of CCR5 (unknown origin) expressed in human HeLa cells assessed as inhibition of interaction of CHO cells expressing HIV-1 JRFLenv and HIV...				J Med Chem 56: 8049-65 (2013) Article DOI: 10.1021/jm401101p BindingDB Entry DOI: 10.7270/Q2445NX3
					More data for this Ligand-Target Pair