BDBM50542061 CHEMBL4634148

SMILES: NC(=O)C([C@@H]1CCN(CCOc2ccc(cc2)-c2nccs2)C1)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=KMXFISMMVQHBPO-RUZDIDTESA-N

Data: 2 KI  3 IC50  1 EC50

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 = 50542061   

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-X-C chemokine receptor type 7 (Homo sapiens (Human))	BDBM50542061 (CHEMBL4634148) Show SMILES NC(=O)C([C@@H]1CCN(CCOc2ccc(cc2)-c2nccs2)C1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H29N3O2S/c30-28(33)29(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-15-17-32(21-25)18-19-34-26-13-11-22(12-14-26)27-31-16-20-35-27/h1-14,16,20,25H,15,17-19,21H2,(H2,30,33)/t25-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	597	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR7 receptor expressed in CHOK1 cell membranes incubated for 2 hrs by radiolabeled ligand binding assay				ACS Med Chem Lett 11: 1330-1334 (2020)
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 7 (Homo sapiens (Human))	BDBM50542061 (CHEMBL4634148) Show SMILES NC(=O)C([C@@H]1CCN(CCOc2ccc(cc2)-c2nccs2)C1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H29N3O2S/c30-28(33)29(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-15-17-32(21-25)18-19-34-26-13-11-22(12-14-26)27-31-16-20-35-27/h1-14,16,20,25H,15,17-19,21H2,(H2,30,33)/t25-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	603	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR7 receptor expressed in CHOK1 cell membranes incubated for 2 hrs by radiolabeled ligand binding assay				ACS Med Chem Lett 11: 1330-1334 (2020)
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 7 (Homo sapiens (Human))	BDBM50542061 (CHEMBL4634148) Show SMILES NC(=O)C([C@@H]1CCN(CCOc2ccc(cc2)-c2nccs2)C1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H29N3O2S/c30-28(33)29(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-15-17-32(21-25)18-19-34-26-13-11-22(12-14-26)27-31-16-20-35-27/h1-14,16,20,25H,15,17-19,21H2,(H2,30,33)/t25-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human CXCR7 receptor expressed in CHOK1 cell membranes assessed as increase in beta-arrestin recruitment incubated for 30 mins				ACS Med Chem Lett 11: 1330-1334 (2020)
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50542061 (CHEMBL4634148) Show SMILES NC(=O)C([C@@H]1CCN(CCOc2ccc(cc2)-c2nccs2)C1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H29N3O2S/c30-28(33)29(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-15-17-32(21-25)18-19-34-26-13-11-22(12-14-26)27-31-16-20-35-27/h1-14,16,20,25H,15,17-19,21H2,(H2,30,33)/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from human CXCR4 receptor expressed in Jurkat cells incubated for 2 hrs by radiolabeled ligand binding assay				ACS Med Chem Lett 11: 1330-1334 (2020)
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 7 (Homo sapiens (Human))	BDBM50542061 (CHEMBL4634148) Show SMILES NC(=O)C([C@@H]1CCN(CCOc2ccc(cc2)-c2nccs2)C1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H29N3O2S/c30-28(33)29(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-15-17-32(21-25)18-19-34-26-13-11-22(12-14-26)27-31-16-20-35-27/h1-14,16,20,25H,15,17-19,21H2,(H2,30,33)/t25-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CXCR7 receptor expressed in CHOK1 cell membranes assessed as reduction in beta-arrestin recruitment incubated for 30 min...				ACS Med Chem Lett 11: 1330-1334 (2020)
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 7 (Homo sapiens (Human))	BDBM50542061 (CHEMBL4634148) Show SMILES NC(=O)C([C@@H]1CCN(CCOc2ccc(cc2)-c2nccs2)C1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H29N3O2S/c30-28(33)29(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-15-17-32(21-25)18-19-34-26-13-11-22(12-14-26)27-31-16-20-35-27/h1-14,16,20,25H,15,17-19,21H2,(H2,30,33)/t25-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	622	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CXCR7 receptor expressed in CHOK1 cell membranes assessed as reduction in beta-arrestin recruitment incubated for 30 min...				ACS Med Chem Lett 11: 1330-1334 (2020)
					More data for this Ligand-Target Pair