BDBM50141856 (R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)-2-cyclohexylacetic acid::CHEMBL353331::{3-[4-(5-Benzyl-2-ethyl-2H-pyrazol-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-cyclohexyl-acetic acid

SMILES: CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1

InChI Key: InChIKey=MXCQYIXLBGSZRW-LWKLBADKSA-N

Data: 6 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 6 hits for monomerid = 50141856   

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
CCR5/mu opioid receptor complex (Homo sapiens (Human))	BDBM50141856 ((R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-...) Show SMILES CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 |r| Show InChI InChI=1S/C36H48N4O2/c1-2-40-34(23-32(37-40)22-27-12-6-3-7-13-27)29-18-20-38(21-19-29)24-31-25-39(26-33(31)28-14-8-4-9-15-28)35(36(41)42)30-16-10-5-11-17-30/h3-4,6-9,12-15,23,29-31,33,35H,2,5,10-11,16-22,24-26H2,1H3,(H,41,42)/t31-,33+,35+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration of the compound to displace [125I]-MIP-1 alpha from CX3C chemokine receptor 5				Bioorg Med Chem Lett 14: 935-9 (2004) Article DOI: 10.1016/j.bmcl.2003.12.004 BindingDB Entry DOI: 10.7270/Q2PK0FKP
					More data for this Ligand-Target Pair
CCR5/mu opioid receptor complex (Homo sapiens (Human))	BDBM50141856 ((R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-...) Show SMILES CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 |r| Show InChI InChI=1S/C36H48N4O2/c1-2-40-34(23-32(37-40)22-27-12-6-3-7-13-27)29-18-20-38(21-19-29)24-31-25-39(26-33(31)28-14-8-4-9-15-28)35(36(41)42)30-16-10-5-11-17-30/h3-4,6-9,12-15,23,29-31,33,35H,2,5,10-11,16-22,24-26H2,1H3,(H,41,42)/t31-,33+,35+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration of compound to displace [125I]-MIP-1 alpha from CX3C chemokine receptor 5				Bioorg Med Chem Lett 14: 941-5 (2004) Article DOI: 10.1016/j.bmcl.2003.12.005 BindingDB Entry DOI: 10.7270/Q2JS9PVD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50141856 ((R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-...) Show SMILES CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 |r| Show InChI InChI=1S/C36H48N4O2/c1-2-40-34(23-32(37-40)22-27-12-6-3-7-13-27)29-18-20-38(21-19-29)24-31-25-39(26-33(31)28-14-8-4-9-15-28)35(36(41)42)30-16-10-5-11-17-30/h3-4,6-9,12-15,23,29-31,33,35H,2,5,10-11,16-22,24-26H2,1H3,(H,41,42)/t31-,33+,35+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells				Eur J Med Chem 43: 2724-34 (2008) Article DOI: 10.1016/j.ejmech.2008.01.040 BindingDB Entry DOI: 10.7270/Q2G44Q3W
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50141856 ((R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-...) Show SMILES CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 |r| Show InChI InChI=1S/C36H48N4O2/c1-2-40-34(23-32(37-40)22-27-12-6-3-7-13-27)29-18-20-38(21-19-29)24-31-25-39(26-33(31)28-14-8-4-9-15-28)35(36(41)42)30-16-10-5-11-17-30/h3-4,6-9,12-15,23,29-31,33,35H,2,5,10-11,16-22,24-26H2,1H3,(H,41,42)/t31-,33+,35+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-MIP-1 alpha from human CX3C chemokine receptor 5 expressed in CHO cells				Bioorg Med Chem Lett 14: 941-5 (2004) Article DOI: 10.1016/j.bmcl.2003.12.005 BindingDB Entry DOI: 10.7270/Q2JS9PVD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50141856 ((R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-...) Show SMILES CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 |r| Show InChI InChI=1S/C36H48N4O2/c1-2-40-34(23-32(37-40)22-27-12-6-3-7-13-27)29-18-20-38(21-19-29)24-31-25-39(26-33(31)28-14-8-4-9-15-28)35(36(41)42)30-16-10-5-11-17-30/h3-4,6-9,12-15,23,29-31,33,35H,2,5,10-11,16-22,24-26H2,1H3,(H,41,42)/t31-,33+,35+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration to displace [125I]-MIP-1 alpha from human CX3C chemokine receptor 5 expressed in CHO cells				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50141856 ((R)-2-((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-...) Show SMILES CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)[C@H](C2CCCCC2)C(O)=O)CC1 |r| Show InChI InChI=1S/C36H48N4O2/c1-2-40-34(23-32(37-40)22-27-12-6-3-7-13-27)29-18-20-38(21-19-29)24-31-25-39(26-33(31)28-14-8-4-9-15-28)35(36(41)42)30-16-10-5-11-17-30/h3-4,6-9,12-15,23,29-31,33,35H,2,5,10-11,16-22,24-26H2,1H3,(H,41,42)/t31-,33+,35+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration of the compound to displace [125I]-MIP-1 alpha from human CX3C chemokine receptor 5 expressed in CHO cell				Bioorg Med Chem Lett 14: 935-9 (2004) Article DOI: 10.1016/j.bmcl.2003.12.004 BindingDB Entry DOI: 10.7270/Q2PK0FKP
					More data for this Ligand-Target Pair