BDBM50436256 CHEMBL2398726

SMILES: CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1

InChI Key: InChIKey=WIHIXSCKSFSENF-YBNJHJSASA-N

Data: 8 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 8 hits for monomerid = 50436256   

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-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50436256 (CHEMBL2398726) Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H35ClN2O4/c1-15(2)20(26-21(29)16-5-10-19(28)13-16)22(30)27-12-11-24(31,23(3,4)14-27)17-6-8-18(25)9-7-17/h6-9,15-16,19-20,28,31H,5,10-14H2,1-4H3,(H,26,29)/t16-,19-,20-,24+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in whole blood (unknown origin) assessed as inhibition of LKN1-induced upregulation of beta2-integrin CD11b				Bioorg Med Chem Lett 23: 3833-40 (2013) Article DOI: 10.1016/j.bmcl.2013.04.079 BindingDB Entry DOI: 10.7270/Q24X596G
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50436256 (CHEMBL2398726) Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H35ClN2O4/c1-15(2)20(26-21(29)16-5-10-19(28)13-16)22(30)27-12-11-24(31,23(3,4)14-27)17-6-8-18(25)9-7-17/h6-9,15-16,19-20,28,31H,5,10-14H2,1-4H3,(H,26,29)/t16-,19-,20-,24+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at CCR1 in whole blood (unknown origin) assessed as inhibition of MIP1alpha-induced upregulation of beta2-integrin CD11b				Bioorg Med Chem Lett 23: 3833-40 (2013) Article DOI: 10.1016/j.bmcl.2013.04.079 BindingDB Entry DOI: 10.7270/Q24X596G
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50436256 (CHEMBL2398726) Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H35ClN2O4/c1-15(2)20(26-21(29)16-5-10-19(28)13-16)22(30)27-12-11-24(31,23(3,4)14-27)17-6-8-18(25)9-7-17/h6-9,15-16,19-20,28,31H,5,10-14H2,1-4H3,(H,26,29)/t16-,19-,20-,24+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human CCR1 assessed as inhibition of HCC-1-induced chemotaxis				Bioorg Med Chem Lett 23: 3833-40 (2013) Article DOI: 10.1016/j.bmcl.2013.04.079 BindingDB Entry DOI: 10.7270/Q24X596G
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50436256 (CHEMBL2398726) Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H35ClN2O4/c1-15(2)20(26-21(29)16-5-10-19(28)13-16)22(30)27-12-11-24(31,23(3,4)14-27)17-6-8-18(25)9-7-17/h6-9,15-16,19-20,28,31H,5,10-14H2,1-4H3,(H,26,29)/t16-,19-,20-,24+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human CCR1 assessed as inhibition of MPIF-1-induced chemotaxis				Bioorg Med Chem Lett 23: 3833-40 (2013) Article DOI: 10.1016/j.bmcl.2013.04.079 BindingDB Entry DOI: 10.7270/Q24X596G
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50436256 (CHEMBL2398726) Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H35ClN2O4/c1-15(2)20(26-21(29)16-5-10-19(28)13-16)22(30)27-12-11-24(31,23(3,4)14-27)17-6-8-18(25)9-7-17/h6-9,15-16,19-20,28,31H,5,10-14H2,1-4H3,(H,26,29)/t16-,19-,20-,24+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human CCR1 assessed as inhibition of RANTES-induced chemotaxis				Bioorg Med Chem Lett 23: 3833-40 (2013) Article DOI: 10.1016/j.bmcl.2013.04.079 BindingDB Entry DOI: 10.7270/Q24X596G
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50436256 (CHEMBL2398726) Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H35ClN2O4/c1-15(2)20(26-21(29)16-5-10-19(28)13-16)22(30)27-12-11-24(31,23(3,4)14-27)17-6-8-18(25)9-7-17/h6-9,15-16,19-20,28,31H,5,10-14H2,1-4H3,(H,26,29)/t16-,19-,20-,24+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis				Bioorg Med Chem Lett 23: 3833-40 (2013) Article DOI: 10.1016/j.bmcl.2013.04.079 BindingDB Entry DOI: 10.7270/Q24X596G
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50436256 (CHEMBL2398726) Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H35ClN2O4/c1-15(2)20(26-21(29)16-5-10-19(28)13-16)22(30)27-12-11-24(31,23(3,4)14-27)17-6-8-18(25)9-7-17/h6-9,15-16,19-20,28,31H,5,10-14H2,1-4H3,(H,26,29)/t16-,19-,20-,24+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to human CCR1				Bioorg Med Chem Lett 23: 3833-40 (2013) Article DOI: 10.1016/j.bmcl.2013.04.079 BindingDB Entry DOI: 10.7270/Q24X596G
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50436256 (CHEMBL2398726) Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r| Show InChI InChI=1S/C24H35ClN2O4/c1-15(2)20(26-21(29)16-5-10-19(28)13-16)22(30)27-12-11-24(31,23(3,4)14-27)17-6-8-18(25)9-7-17/h6-9,15-16,19-20,28,31H,5,10-14H2,1-4H3,(H,26,29)/t16-,19-,20-,24+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human CCR1 assessed as inhibition of ieukotactin-1-induced chemotaxis				Bioorg Med Chem Lett 23: 3833-40 (2013) Article DOI: 10.1016/j.bmcl.2013.04.079 BindingDB Entry DOI: 10.7270/Q24X596G
					More data for this Ligand-Target Pair