BDBM50263983 CHEMBL4074806

SMILES: [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC2=O

InChI Key: InChIKey=KNQYXKCBEKHZME-LIWUZWDESA-N

Data: 2 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 2 hits for monomerid = 50263983   

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 (CXCR7) (Homo sapiens (Human))	BDBM50263983 (CHEMBL4074806) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC2=O |r| Show InChI InChI=1S/C47H56N10O7/c1-56-38(15-8-24-52-47(50)64)42(60)55-37(28-30-19-20-31-10-5-6-13-34(31)26-30)45(63)57-25-9-16-39(57)43(61)54-36(41(59)53-35(44(56)62)14-7-23-51-46(48)49)27-29-17-21-33(22-18-29)40(58)32-11-3-2-4-12-32/h2-6,10-13,17-22,26,35-39H,7-9,14-16,23-25,27-28H2,1H3,(H,53,59)(H,54,61)(H,55,60)(H4,48,49,51)(H3,50,52,64)/t35-,36+,37-,38-,39-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from ACKR3 (unknown origin) expressed in CHO cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50263983 (CHEMBL4074806) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=O)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC2=O |r| Show InChI InChI=1S/C47H56N10O7/c1-56-38(15-8-24-52-47(50)64)42(60)55-37(28-30-19-20-31-10-5-6-13-34(31)26-30)45(63)57-25-9-16-39(57)43(61)54-36(41(59)53-35(44(56)62)14-7-23-51-46(48)49)27-29-17-21-33(22-18-29)40(58)32-11-3-2-4-12-32/h2-6,10-13,17-22,26,35-39H,7-9,14-16,23-25,27-28H2,1H3,(H,53,59)(H,54,61)(H,55,60)(H4,48,49,51)(H3,50,52,64)/t35-,36+,37-,38-,39-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from CXCR4 (unknown origin) expressed in HEK293 cells after 1 hr by scintillation counting method				J Med Chem 61: 3745-3751 (2018) Article DOI: 10.1021/acs.jmedchem.8b00336 BindingDB Entry DOI: 10.7270/Q23B62M5
					More data for this Ligand-Target Pair