Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50583784'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-C chemokine receptor type 5 (Macaca fascicularis)	BDBM50583784 (CHEMBL5074744) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)n1c(CCNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]3CC[C@@]4(O)[C@@]5([H])Cc6ccc(O)c7O[C@]3([H])[C@]4(CCN5CC3CC3)c67)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:59:58:46.63.45:41,71:70:7.6.8:2.3| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]1-alpha from recombinant rhesus macaque CCR5 expressed in Chem-1 cells incubated for 90 mins by competitive radioligand binding...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00408 BindingDB Entry DOI: 10.7270/Q2R49VPJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50583784 (CHEMBL5074744) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)n1c(CCNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]3CC[C@@]4(O)[C@@]5([H])Cc6ccc(O)c7O[C@]3([H])[C@]4(CCN5CC3CC3)c67)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:59:58:46.63.45:41,71:70:7.6.8:2.3| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at CCR5 (unknown origin) expressed in HOS cells co-expressing Gqi-5 assessed as inhibition CCL5-stimulated Ca2+ mobilization by c...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00408 BindingDB Entry DOI: 10.7270/Q2R49VPJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50583784 (CHEMBL5074744) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)n1c(CCNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]3CC[C@@]4(O)[C@@]5([H])Cc6ccc(O)c7O[C@]3([H])[C@]4(CCN5CC3CC3)c67)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:59:58:46.63.45:41,71:70:7.6.8:2.3| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	93	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CCR5-mediated HIV-1 Bal entry in human GHOST CCR5 cells assessed as decrease in viral reverse transcriptase activity by measuring [3H]t...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00408 BindingDB Entry DOI: 10.7270/Q2R49VPJ
					More data for this Ligand-Target Pair