Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50015206   

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
Mu-type opioid receptor (MOUSE)	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-naloxone from mouse MOR expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay				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 (Macaca fascicularis)	BDBM50583787 (CHEMBL5071060) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@@]4([H])Cc5ccc(O)c6O[C@]2([H])[C@]3(CCN4CC2CC2)c56)cc1 |r,TLB:19:18:7.6.8:2.3,83:82:70.87.69:65| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	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 (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
Mu-type opioid receptor (MOUSE)	BDBM50583786 (CHEMBL5074037) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)n1c(CCNC(=O)COCC(=O)NCCCCCNC(=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:57:56:44.61.43:39,69:68:7.6.8:2.3| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-naloxone from mouse MOR expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay				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 (Macaca fascicularis)	BDBM50583785 (CHEMBL5089300) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)n1c(CCNC(=O)COCC(=O)NCCCCCCCCCNC(=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:61:60:48.65.47:43,73:72:7.6.8:2.3| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70	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
Mu-type opioid receptor (MOUSE)	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-naloxone from mouse MOR expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00408 BindingDB Entry DOI: 10.7270/Q2R49VPJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50583785 (CHEMBL5089300) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)n1c(CCNC(=O)COCC(=O)NCCCCCCCCCNC(=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:61:60:48.65.47:43,73:72:7.6.8:2.3| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-naloxone from mouse MOR expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay				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 (Macaca fascicularis)	BDBM50583788 (CHEMBL5094690) Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)n1c(CCNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)NC)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:46:45:3.2:7.6.8| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	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 by competitive radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00408 BindingDB Entry DOI: 10.7270/Q2R49VPJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50583787 (CHEMBL5071060) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@@]4([H])Cc5ccc(O)c6O[C@]2([H])[C@]3(CCN4CC2CC2)c56)cc1 |r,TLB:19:18:7.6.8:2.3,83:82:70.87.69:65| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-naloxone from mouse MOR expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay				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))	BDBM50583789 (CHEMBL584744) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.770	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				3D Structure (crystal)
Mu-type opioid receptor (MOUSE)	BDBM60212 ((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at mouse MOR expressed in CHO cells assessed as inhibition of DAMGO-induced calcium mobilization preincubated for 60 mins measure...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00408 BindingDB Entry DOI: 10.7270/Q2R49VPJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50583787 (CHEMBL5071060) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@@]4([H])Cc5ccc(O)c6O[C@]2([H])[C@]3(CCN4CC2CC2)c56)cc1 |r,TLB:19:18:7.6.8:2.3,83:82:70.87.69:65| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at mouse MOR expressed in CHO cells assessed as inhibition of DAMGO-induced calcium mobilization preincubated for 60 mins measure...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00408 BindingDB Entry DOI: 10.7270/Q2R49VPJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at mouse MOR expressed in CHO cells assessed as inhibition of DAMGO-induced calcium mobilization preincubated for 60 mins measure...				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
Mu-type opioid receptor (MOUSE)	BDBM50583785 (CHEMBL5089300) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)n1c(CCNC(=O)COCC(=O)NCCCCCCCCCNC(=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:61:60:48.65.47:43,73:72:7.6.8:2.3| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at mouse MOR expressed in CHO cells assessed as inhibition of DAMGO-induced calcium mobilization preincubated for 60 mins measure...				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))	BDBM50583787 (CHEMBL5071060) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@@]4([H])Cc5ccc(O)c6O[C@]2([H])[C@]3(CCN4CC2CC2)c56)cc1 |r,TLB:19:18:7.6.8:2.3,83:82:70.87.69:65| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	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))	BDBM50583785 (CHEMBL5089300) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)n1c(CCNC(=O)COCC(=O)NCCCCCCCCCNC(=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:61:60:48.65.47:43,73:72:7.6.8:2.3| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	965	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
Mu-type opioid receptor (MOUSE)	BDBM50583786 (CHEMBL5074037) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)n1c(CCNC(=O)COCC(=O)NCCCCCNC(=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:57:56:44.61.43:39,69:68:7.6.8:2.3| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at mouse MOR expressed in CHO cells assessed as inhibition of DAMGO-induced calcium mobilization preincubated for 60 mins measure...				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))	BDBM50583786 (CHEMBL5074037) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)n1c(CCNC(=O)COCC(=O)NCCCCCNC(=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:57:56:44.61.43:39,69:68:7.6.8:2.3| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	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
Mu-type opioid receptor (MOUSE)	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at mouse MOR expressed in CHO cells coexpressing Gqi5 assessed as inhibition of DAMGO-induced calcium mobilization preincubated for ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00408 BindingDB Entry DOI: 10.7270/Q2R49VPJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	247	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MOR-mediated HIV1 BaL01 infection in GFP-tagged human OPRM1 transfected TZM-bl cells co-expressing HIV1 - LTR assessed as inhibition of...				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
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50583787 (CHEMBL5071060) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@@]4([H])Cc5ccc(O)c6O[C@]2([H])[C@]3(CCN4CC2CC2)c56)cc1 |r,TLB:19:18:7.6.8:2.3,83:82:70.87.69:65| 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	>1.00E+5	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
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50583789 (CHEMBL584744) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	18	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				3D Structure (crystal)
Mu-type opioid receptor (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	368	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MOR-mediated HIV1 BaL01 infection in GFP-tagged human OPRM1 transfected TZM-bl cells co-expressing HIV1 - LTR assessed as inhibition of...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00408 BindingDB Entry DOI: 10.7270/Q2R49VPJ
					More data for this Ligand-Target Pair